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

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C18H16ClN3O4 MolecularWeight: 373.79034

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2)Cl)N

InChI

InChI=1S/C18H16ClN3O4/c1-25-16-10-15(21)14(19)9-13(16)18(24)26-11-17(23)22(8-7-20)12-5-3-2-4-6-12/h2-6,9-10H,8,11,21H2,1H3