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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=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(=C1)C(=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/c1-13-3-2-4-14(11-13)20(27)23-22-15-5-7-16(8-6-15)24-33-21(28)18-10-9-17(25(29)30)12-19(18)26(31)32/h2-12,24H,1H3