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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N=NC2=CC=C(C=C2)NOC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N=NC2=CC=C(C=C2)NOC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

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