[[4-[(3-aminophenyl)carbonyldiazenyl]phenyl]amino] 3-nitrobenzoate

Systemtic Name: [[4-[(3-aminophenyl)carbonyldiazenyl]phenyl]amino] 3-nitrobenzoate Openeye Name: [4-(3-aminobenzoyl)azoanilino] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[(3-aminophenyl)-oxomethyl]azoanilino] ester IUPAC Name: [4-[(3-aminobenzoyl)diazenyl]anilino] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-(3-aminobenzoyl)azoanilino] ester Formula: C20H15N5O5 MolecularWeight: 405.3636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15N5O5/c21-15-5-1-3-13(11-15)19(26)23-22-16-7-9-17(10-8-16)24-30-20(27)14-4-2-6-18(12-14)25(28)29/h1-12,24H,21H2