[[4-[(3,5-dinitrophenyl)carbonyldiazenyl]phenyl]amino] 2-phenylethanoate

Systemtic Name: [[4-[(3,5-dinitrophenyl)carbonyldiazenyl]phenyl]amino] 2-phenylethanoate Openeye Name: [4-(3,5-dinitrobenzoyl)azoanilino] 2-phenylacetate CAS Name: 2-phenylacetic acid [4-[(3,5-dinitrophenyl)-oxomethyl]azoanilino] ester IUPAC Name: [4-[(3,5-dinitrobenzoyl)diazenyl]anilino] 2-phenylacetate Traditional Name: 2-phenylacetic acid [4-(3,5-dinitrobenzoyl)azoanilino] ester Formula: C21H15N5O7 MolecularWeight: 449.3731

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15N5O7/c27-20(10-14-4-2-1-3-5-14)33-24-17-8-6-16(7-9-17)22-23-21(28)15-11-18(25(29)30)13-19(12-15)26(31)32/h1-9,11-13,24H,10H2