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

Systemtic Name: [[4-[(2-methylphenyl)carbonyldiazenyl]phenyl]amino] 3,5-dinitrobenzoate Openeye Name: [4-(2-methylbenzoyl)azoanilino] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [4-[(2-methylphenyl)-oxomethyl]azoanilino] ester IUPAC Name: [4-[(2-methylbenzoyl)diazenyl]anilino] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (4-o-toluoylazoanilino) ester Formula: C21H15N5O7 MolecularWeight: 449.3731

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N=NC2=CC=C(C=C2)NOC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(=O)N=NC2=CC=C(C=C2)NOC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H15N5O7/c1-13-4-2-3-5-19(13)20(27)23-22-15-6-8-16(9-7-15)24-33-21(28)14-10-17(25(29)30)12-18(11-14)26(31)32/h2-12,24H,1H3