[[4-[(2-oxidanyl-2,2-diphenyl-ethanoyl)diazenyl]phenyl]amino] 3,5-dinitrobenzoate

Systemtic Name: [[4-[(2-oxidanyl-2,2-diphenyl-ethanoyl)diazenyl]phenyl]amino] 3,5-dinitrobenzoate Openeye Name: [4-(2-hydroxy-2,2-diphenyl-acetyl)azoanilino] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [4-(2-hydroxy-1-oxo-2,2-diphenylethyl)azoanilino] ester IUPAC Name: [4-[(2-hydroxy-2,2-diphenylacetyl)diazenyl]anilino] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (4-benziloylazoanilino) ester Formula: C27H19N5O8 MolecularWeight: 541.46846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)N=NC3=CC=C(C=C3)NOC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)N=NC3=CC=C(C=C3)NOC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])O

InChI

InChI=1S/C27H19N5O8/c33-25(18-15-23(31(36)37)17-24(16-18)32(38)39)40-30-22-13-11-21(12-14-22)28-29-26(34)27(35,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-17,30,35H