[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 8-methoxy-2-oxidanylidene-chromene-3-carboxylate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 8-methoxy-2-oxidanylidene-chromene-3-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 8-methoxy-2-oxo-chromene-3-carboxylate CAS Name: 8-methoxy-2-oxo-1-benzopyran-3-carboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 8-methoxy-2-oxochromene-3-carboxylate Traditional Name: 2-keto-8-methoxy-chromene-3-carboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C22H18N2O6 MolecularWeight: 406.38812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3

InChI

InChI=1S/C22H18N2O6/c1-28-18-10-5-7-15-13-17(22(27)30-20(15)18)21(26)29-14-19(25)24(12-6-11-23)16-8-3-2-4-9-16/h2-5,7-10,13H,6,12,14H2,1H3