[[4-[(2,4-dinitrophenyl)carbonyldiazenyl]phenyl]amino] 4-methylbenzoate

Systemtic Name: [[4-[(2,4-dinitrophenyl)carbonyldiazenyl]phenyl]amino] 4-methylbenzoate Openeye Name: [4-(2,4-dinitrobenzoyl)azoanilino] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [4-[(2,4-dinitrophenyl)-oxomethyl]azoanilino] ester IUPAC Name: [4-[(2,4-dinitrobenzoyl)diazenyl]anilino] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [4-(2,4-dinitrobenzoyl)azoanilino] ester Formula: C21H15N5O7 MolecularWeight: 449.3731

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)ONC2=CC=C(C=C2)N=NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)ONC2=CC=C(C=C2)N=NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

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