2-[(2-methylcyclohexyl)amino]-5-nitro-benzoic acid

Systemtic Name: 2-[(2-methylcyclohexyl)amino]-5-nitro-benzoic acid Openeye Name: 2-[(2-methylcyclohexyl)amino]-5-nitro-benzoic acid CAS Name: 2-[(2-methylcyclohexyl)amino]-5-nitrobenzoic acid IUPAC Name: 2-[(2-methylcyclohexyl)amino]-5-nitrobenzoic acid Traditional Name: 2-[(2-methylcyclohexyl)amino]-5-nitro-benzoic acid Formula: C14H18N2O4 MolecularWeight: 278.30372

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1CCCCC1NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H18N2O4/c1-9-4-2-3-5-12(9)15-13-7-6-10(16(19)20)8-11(13)14(17)18/h6-9,12,15H,2-5H2,1H3,(H,17,18)