[[4-[(3,5-dinitrophenyl)carbonyldiazenyl]phenyl]amino] 2-methylbenzoate

Systemtic Name: [[4-[(3,5-dinitrophenyl)carbonyldiazenyl]phenyl]amino] 2-methylbenzoate Openeye Name: [4-(3,5-dinitrobenzoyl)azoanilino] 2-methylbenzoate CAS Name: 2-methylbenzoic acid [4-[(3,5-dinitrophenyl)-oxomethyl]azoanilino] ester IUPAC Name: [4-[(3,5-dinitrobenzoyl)diazenyl]anilino] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [4-(3,5-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=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(=O)ONC2=CC=C(C=C2)N=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

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