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

Systemtic Name: [[4-[(3,5-dinitrophenyl)carbonyldiazenyl]phenyl]amino] 3,4-dimethoxybenzoate Openeye Name: [4-(3,5-dinitrobenzoyl)azoanilino] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [4-[(3,5-dinitrophenyl)-oxomethyl]azoanilino] ester IUPAC Name: [4-[(3,5-dinitrobenzoyl)diazenyl]anilino] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [4-(3,5-dinitrobenzoyl)azoanilino] ester Formula: C22H17N5O9 MolecularWeight: 495.39848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)ONC2=CC=C(C=C2)N=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)ONC2=CC=C(C=C2)N=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])OC

InChI

InChI=1S/C22H17N5O9/c1-34-19-8-3-13(11-20(19)35-2)22(29)36-25-16-6-4-15(5-7-16)23-24-21(28)14-9-17(26(30)31)12-18(10-14)27(32)33/h3-12,25H,1-2H3