[2-oxidanylidene-2-[(4-phenyldiazenylphenyl)amino]ethyl] 3-azanyl-4-chloranyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[(4-phenyldiazenylphenyl)amino]ethyl] 3-azanyl-4-chloranyl-benzoate Openeye Name: [2-oxo-2-(4-phenylazoanilino)ethyl] 3-amino-4-chloro-benzoate CAS Name: 3-amino-4-chlorobenzoic acid [2-oxo-2-(4-phenyldiazenylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 3-amino-4-chlorobenzoate Traditional Name: 3-amino-4-chloro-benzoic acid [2-keto-2-(4-phenylazoanilino)ethyl] ester Formula: C21H17ClN4O3 MolecularWeight: 408.83768

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC(=O)COC(=O)C3=CC(=C(C=C3)Cl)N

Isomeric SMILES

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC(=O)COC(=O)C3=CC(=C(C=C3)Cl)N

InChI

InChI=1S/C21H17ClN4O3/c22-18-11-6-14(12-19(18)23)21(28)29-13-20(27)24-15-7-9-17(10-8-15)26-25-16-4-2-1-3-5-16/h1-12H,13,23H2,(H,24,27)