methyl 3,3-bis(2-cyanoethyl)-2-methyl-4-oxidanylidene-chromene-2-carboxylate

Systemtic Name: methyl 3,3-bis(2-cyanoethyl)-2-methyl-4-oxidanylidene-chromene-2-carboxylate Openeye Name: methyl 3,3-bis(2-cyanoethyl)-2-methyl-4-oxo-chromane-2-carboxylate CAS Name: 3,3-bis(2-cyanoethyl)-2-methyl-4-oxo-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid methyl ester IUPAC Name: methyl 3,3-bis(2-cyanoethyl)-2-methyl-4-oxochromene-2-carboxylate Traditional Name: 3,3-bis(2-cyanoethyl)-4-keto-2-methyl-chroman-2-carboxylic acid methyl ester Formula: C18H18N2O4 MolecularWeight: 326.34652

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(=O)C2=CC=CC=C2O1)(CCC#N)CCC#N)C(=O)OC

Isomeric SMILES

CC1(C(C(=O)C2=CC=CC=C2O1)(CCC#N)CCC#N)C(=O)OC

InChI

InChI=1S/C18H18N2O4/c1-17(16(22)23-2)18(9-5-11-19,10-6-12-20)15(21)13-7-3-4-8-14(13)24-17/h3-4,7-8H,5-6,9-10H2,1-2H3