5-(Hexahydro-1H-azepin-1-yl)-2-nitrobenzoic acid
CAS Registry Number®
1000018-50-7
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CAS Name
5-(Hexahydro-1H-azepin-1-yl)-2-nitrobenzoic acidMolecular Formula
C13H16N2O4Molecular Mass
264.28Cite this Page
5-(Hexahydro-1H-azepin-1-yl)-2-nitrobenzoic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=1000018-50-7 (retrieved ) (CAS RN: 1000018-50-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C13H16N2O4/c16-13(17)11-9-10(5-6-12(11)15(18)19)14-7-3-1-2-4-8-14/h5-6,9H,1-4,7-8H2,(H,16,17)
InChIKey
InChIKey=PWQLQASFACMTGY-UHFFFAOYSA-N
SMILES
C(O)(=O)C=1C=C(C=CC1N(=O)=O)N2CCCCCC2
Canonical SMILES
O=C(O)C1=CC(=CC=C1N(=O)=O)N2CCCCCC2
Other Names for this Substance
- Benzoic acid, 5-(hexahydro-1H-azepin-1-yl)-2-nitro-
- 5-(Hexahydro-1H-azepin-1-yl)-2-nitrobenzoic acid
