octyl 4-[(3-azanyl-4-methyl-phenyl)amino]-3-nitro-benzoate

Systemtic Name: octyl 4-[(3-azanyl-4-methyl-phenyl)amino]-3-nitro-benzoate Openeye Name: octyl 4-(3-amino-4-methyl-anilino)-3-nitro-benzoate CAS Name: 4-(3-amino-4-methylanilino)-3-nitrobenzoic acid octyl ester IUPAC Name: octyl 4-(3-amino-4-methylanilino)-3-nitrobenzoate Traditional Name: 4-(3-amino-4-methyl-anilino)-3-nitro-benzoic acid octyl ester Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O4/c1-3-4-5-6-7-8-13-29-22(26)17-10-12-20(21(14-17)25(27)28)24-18-11-9-16(2)19(23)15-18/h9-12,14-15,24H,3-8,13,23H2,1-2H3