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

Systemtic Name: propan-2-yl 4-[[3-(3-aminophenyl)phenyl]amino]-3-nitro-benzoate Openeye Name: isopropyl 4-[3-(3-aminophenyl)anilino]-3-nitro-benzoate CAS Name: 4-[3-(3-aminophenyl)anilino]-3-nitrobenzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[3-(3-aminophenyl)anilino]-3-nitrobenzoate Traditional Name: 4-[3-(3-aminophenyl)anilino]-3-nitro-benzoic acid isopropyl ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC(=C(C=C1)NC2=CC=CC(=C2)C3=CC(=CC=C3)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC(=O)C1=CC(=C(C=C1)NC2=CC=CC(=C2)C3=CC(=CC=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O4/c1-14(2)29-22(26)17-9-10-20(21(13-17)25(27)28)24-19-8-4-6-16(12-19)15-5-3-7-18(23)11-15/h3-14,24H,23H2,1-2H3