[[4-(2-phenylethanoyldiazenyl)phenyl]amino] 3,5-dinitrobenzoate

Systemtic Name: [[4-(2-phenylethanoyldiazenyl)phenyl]amino] 3,5-dinitrobenzoate Openeye Name: [4-(2-phenylacetyl)azoanilino] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [4-(1-oxo-2-phenylethyl)azoanilino] ester IUPAC Name: [4-[(2-phenylacetyl)diazenyl]anilino] 3,5-dinitrobenzoate Traditional Name: 3,5-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=CC(=CC(=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=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

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