[2-oxidanylidene-2-[(4-phenyldiazenylphenyl)amino]ethyl] 4-azanyl-5-chloranyl-2-methoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-[(4-phenyldiazenylphenyl)amino]ethyl] 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: [2-oxo-2-(4-phenylazoanilino)ethyl] 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid [2-oxo-2-(4-phenyldiazenylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid [2-keto-2-(4-phenylazoanilino)ethyl] ester Formula: C22H19ClN4O4 MolecularWeight: 438.86366

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCC(=O)NC2=CC=C(C=C2)N=NC3=CC=CC=C3)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCC(=O)NC2=CC=C(C=C2)N=NC3=CC=CC=C3)Cl)N

InChI

InChI=1S/C22H19ClN4O4/c1-30-20-12-19(24)18(23)11-17(20)22(29)31-13-21(28)25-14-7-9-16(10-8-14)27-26-15-5-3-2-4-6-15/h2-12H,13,24H2,1H3,(H,25,28)