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

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-methyl-2-oxidanyl-benzoate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 2-hydroxy-4-methyl-benzoate CAS Name: 2-hydroxy-4-methylbenzoic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate Traditional Name: 2-hydroxy-4-methyl-benzoic acid [2-[4-(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)NC2=CC=C(C=C2)CC#N)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)CC#N)O

InChI

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