[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 4-methyl-2-oxidanyl-benzoate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 4-methyl-2-oxidanyl-benzoate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 2-hydroxy-4-methyl-benzoate CAS Name: 2-hydroxy-4-methylbenzoic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate Traditional Name: 2-hydroxy-4-methyl-benzoic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C18H16N2O4 MolecularWeight: 324.33064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2)O

InChI

InChI=1S/C18H16N2O4/c1-13-7-8-15(16(21)11-13)18(23)24-12-17(22)20(10-9-19)14-5-3-2-4-6-14/h2-8,11,21H,10,12H2,1H3