5-[(3-methylcyclohexyl)amino]-2-nitro-benzoic acid

Systemtic Name: 5-[(3-methylcyclohexyl)amino]-2-nitro-benzoic acid Openeye Name: 5-[(3-methylcyclohexyl)amino]-2-nitro-benzoic acid CAS Name: 5-[(3-methylcyclohexyl)amino]-2-nitrobenzoic acid IUPAC Name: 5-[(3-methylcyclohexyl)amino]-2-nitrobenzoic acid Traditional Name: 5-[(3-methylcyclohexyl)amino]-2-nitro-benzoic acid Formula: C14H18N2O4 MolecularWeight: 278.30372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)NC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1CCCC(C1)NC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H18N2O4/c1-9-3-2-4-10(7-9)15-11-5-6-13(16(19)20)12(8-11)14(17)18/h5-6,8-10,15H,2-4,7H2,1H3,(H,17,18)