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

Systemtic Name: [[4-[(2-methylphenyl)carbonyldiazenyl]phenyl]amino] 2,4-dinitrobenzoate Openeye Name: [4-(2-methylbenzoyl)azoanilino] 2,4-dinitrobenzoate CAS Name: 2,4-dinitrobenzoic acid [4-[(2-methylphenyl)-oxomethyl]azoanilino] ester IUPAC Name: [4-[(2-methylbenzoyl)diazenyl]anilino] 2,4-dinitrobenzoate Traditional Name: 2,4-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=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(=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/c1-13-4-2-3-5-17(13)20(27)23-22-14-6-8-15(9-7-14)24-33-21(28)18-11-10-16(25(29)30)12-19(18)26(31)32/h2-12,24H,1H3