[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-methoxy-4-prop-2-enoxy-benzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-methoxy-4-prop-2-enoxy-benzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 4-allyloxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-prop-2-enoxybenzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 3-methoxy-4-prop-2-enoxybenzoate Traditional Name: 4-allyloxy-3-methoxy-benzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C16H18N2O5 MolecularWeight: 318.32452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OCC(=O)NCCC#N)OCC=C

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OCC(=O)NCCC#N)OCC=C

InChI

InChI=1S/C16H18N2O5/c1-3-9-22-13-6-5-12(10-14(13)21-2)16(20)23-11-15(19)18-8-4-7-17/h3,5-6,10H,1,4,8-9,11H2,2H3,(H,18,19)