[[4-(2-phenylethanoyldiazenyl)phenyl]amino] 2,4-dinitrobenzoate

Systemtic Name: [[4-(2-phenylethanoyldiazenyl)phenyl]amino] 2,4-dinitrobenzoate Openeye Name: [4-(2-phenylacetyl)azoanilino] 2,4-dinitrobenzoate CAS Name: 2,4-dinitrobenzoic acid [4-(1-oxo-2-phenylethyl)azoanilino] ester IUPAC Name: [4-[(2-phenylacetyl)diazenyl]anilino] 2,4-dinitrobenzoate Traditional Name: 2,4-dinitrobenzoic acid [4-(2-phenylacetyl)azoanilino] ester Formula: C21H15N5O7 MolecularWeight: 449.3731

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)N=NC2=CC=C(C=C2)NOC(=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)23-22-15-6-8-16(9-7-15)24-33-21(28)18-11-10-17(25(29)30)13-19(18)26(31)32/h1-11,13,24H,12H2