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

Systemtic Name: [[4-[(4-bromophenyl)carbonyldiazenyl]phenyl]amino] 3,4-dimethoxybenzoate Openeye Name: [4-(4-bromobenzoyl)azoanilino] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [4-[(4-bromophenyl)-oxomethyl]azoanilino] ester IUPAC Name: [4-[(4-bromobenzoyl)diazenyl]anilino] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [4-(4-bromobenzoyl)azoanilino] ester Formula: C22H18BrN3O5 MolecularWeight: 484.29942

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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=C(C=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)ONC2=CC=C(C=C2)N=NC(=O)C3=CC=C(C=C3)Br)OC

InChI

InChI=1S/C22H18BrN3O5/c1-29-19-12-5-15(13-20(19)30-2)22(28)31-26-18-10-8-17(9-11-18)24-25-21(27)14-3-6-16(23)7-4-14/h3-13,26H,1-2H3