[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 6-methanoyl-2,3-dimethoxy-benzoate

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 6-methanoyl-2,3-dimethoxy-benzoate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 6-formyl-2,3-dimethoxy-benzoate CAS Name: 6-formyl-2,3-dimethoxybenzoic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 6-formyl-2,3-dimethoxybenzoate Traditional Name: 6-formyl-2,3-dimethoxy-benzoic acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C20H18N2O6 MolecularWeight: 382.36672

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C=O)C(=O)OCC(=O)NC2=CC=C(C=C2)CC#N)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C=O)C(=O)OCC(=O)NC2=CC=C(C=C2)CC#N)OC

InChI

InChI=1S/C20H18N2O6/c1-26-16-8-5-14(11-23)18(19(16)27-2)20(25)28-12-17(24)22-15-6-3-13(4-7-15)9-10-21/h3-8,11H,9,12H2,1-2H3,(H,22,24)