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

Systemtic Name: [[4-[(2,4-dinitrophenyl)carbonyldiazenyl]phenyl]amino] 2-phenylethanoate Openeye Name: [4-(2,4-dinitrobenzoyl)azoanilino] 2-phenylacetate CAS Name: 2-phenylacetic acid [4-[(2,4-dinitrophenyl)-oxomethyl]azoanilino] ester IUPAC Name: [4-[(2,4-dinitrobenzoyl)diazenyl]anilino] 2-phenylacetate Traditional Name: 2-phenylacetic acid [4-(2,4-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=C(C=C(C=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=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

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