4-(7,8,9,10-Tetrahydro-5,7,7,10,10-pentamethyl-2-nitro-5H-benzo[b]naphtho[2,3-e][1,4]diazepin-12-yl)benzoic acid

CAS Registry Number®

188844-34-0

CAS Name

4-(7,8,9,10-Tetrahydro-5,7,7,10,10-pentamethyl-2-nitro-5H-benzo[b]naphtho[2,3-e][1,4]diazepin-12-yl)benzoic acid

Molecular Formula

C29H29N3O4

Molecular Mass

483.56

Cite this Page

4-(7,8,9,10-Tetrahydro-5,7,7,10,10-pentamethyl-2-nitro-5H-benzo[b]naphtho[2,3-e][1,4]diazepin-12-yl)benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=188844-34-0 (retrieved 2024-11-23) (CAS RN: 188844-34-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C29H29N3O4/c1-28(2)12-13-29(3,4)22-16-25-20(15-21(22)28)26(17-6-8-18(9-7-17)27(33)34)30-23-14-19(32(35)36)10-11-24(23)31(25)5/h6-11,14-16H,12-13H2,1-5H3,(H,33,34)

InChIKey

InChIKey=SXKPGYKPQPYJER-UHFFFAOYSA-N

SMILES

CN1C=2C(C(=NC=3C1=CC=C(N(=O)=O)C3)C4=CC=C(C(O)=O)C=C4)=CC5=C(C2)C(C)(C)CCC5(C)C

Canonical SMILES

O=C(O)C=1C=CC(=CC1)C2=NC3=CC(=CC=C3N(C=4C=C5C(=CC24)C(C)(C)CCC5(C)C)C)N(=O)=O

Other Names for this Substance

  • Benzoic acid, 4-(7,8,9,10-tetrahydro-5,7,7,10,10-pentamethyl-2-nitro-5H-benzo[b]naphtho[2,3-e][1,4]diazepin-12-yl)-
  • 4-(7,8,9,10-Tetrahydro-5,7,7,10,10-pentamethyl-2-nitro-5H-benzo[b]naphtho[2,3-e][1,4]diazepin-12-yl)benzoic acid
  • HX 531

CAS INSIGHTSTM
Hourglass and a clock