[[4-[(3,4-dimethoxyphenyl)carbonyldiazenyl]phenyl]amino] 2,4-dinitrobenzoate

Systemtic Name: [[4-[(3,4-dimethoxyphenyl)carbonyldiazenyl]phenyl]amino] 2,4-dinitrobenzoate Openeye Name: [4-(3,4-dimethoxybenzoyl)azoanilino] 2,4-dinitrobenzoate CAS Name: 2,4-dinitrobenzoic acid [4-[(3,4-dimethoxyphenyl)-oxomethyl]azoanilino] ester IUPAC Name: [4-[(3,4-dimethoxybenzoyl)diazenyl]anilino] 2,4-dinitrobenzoate Traditional Name: 2,4-dinitrobenzoic acid (4-veratroylazoanilino) ester Formula: C22H17N5O9 MolecularWeight: 495.39848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N=NC2=CC=C(C=C2)NOC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N=NC2=CC=C(C=C2)NOC(=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)21(28)24-23-14-4-6-15(7-5-14)25-36-22(29)17-9-8-16(26(30)31)12-18(17)27(32)33/h3-12,25H,1-2H3