propan-2-yl 4-[(4-aminophenyl)amino]-3-nitro-benzoate

Systemtic Name: propan-2-yl 4-[(4-aminophenyl)amino]-3-nitro-benzoate Openeye Name: isopropyl 4-(4-aminoanilino)-3-nitro-benzoate CAS Name: 4-(4-aminoanilino)-3-nitrobenzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-(4-aminoanilino)-3-nitrobenzoate Traditional Name: 4-(4-aminoanilino)-3-nitro-benzoic acid isopropyl ester Formula: C16H17N3O4 MolecularWeight: 315.32388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O4/c1-10(2)23-16(20)11-3-8-14(15(9-11)19(21)22)18-13-6-4-12(17)5-7-13/h3-10,18H,17H2,1-2H3