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

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

InChI

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