[[4-[[3,5-bis(oxidanyl)phenyl]carbonyldiazenyl]phenyl]amino] 3-nitrobenzoate

Systemtic Name: [[4-[[3,5-bis(oxidanyl)phenyl]carbonyldiazenyl]phenyl]amino] 3-nitrobenzoate Openeye Name: [4-(3,5-dihydroxybenzoyl)azoanilino] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[(3,5-dihydroxyphenyl)-oxomethyl]azoanilino] ester IUPAC Name: [4-[(3,5-dihydroxybenzoyl)diazenyl]anilino] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-(3,5-dihydroxybenzoyl)azoanilino] ester Formula: C20H14N4O7 MolecularWeight: 422.34776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)ONC2=CC=C(C=C2)N=NC(=O)C3=CC(=CC(=C3)O)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)ONC2=CC=C(C=C2)N=NC(=O)C3=CC(=CC(=C3)O)O

InChI

InChI=1S/C20H14N4O7/c25-17-9-13(10-18(26)11-17)19(27)22-21-14-4-6-15(7-5-14)23-31-20(28)12-2-1-3-16(8-12)24(29)30/h1-11,23,25-26H