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

Systemtic Name: [[4-[(2,4-dinitrophenyl)carbonyldiazenyl]phenyl]amino] 2-methylbenzoate Openeye Name: [4-(2,4-dinitrobenzoyl)azoanilino] 2-methylbenzoate CAS Name: 2-methylbenzoic acid [4-[(2,4-dinitrophenyl)-oxomethyl]azoanilino] ester IUPAC Name: [4-[(2,4-dinitrobenzoyl)diazenyl]anilino] 2-methylbenzoate Traditional Name: 2-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=CC=C1C(=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=CC=C1C(=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/c1-13-4-2-3-5-17(13)21(28)33-24-15-8-6-14(7-9-15)22-23-20(27)18-11-10-16(25(29)30)12-19(18)26(31)32/h2-12,24H,1H3