ethyl (Z)-2-cyano-3-[4-(cyanomethyl)-7-(diethylamino)-2-oxidanylidene-chromen-3-yl]prop-2-enoate

Systemtic Name: ethyl (Z)-2-cyano-3-[4-(cyanomethyl)-7-(diethylamino)-2-oxidanylidene-chromen-3-yl]prop-2-enoate Openeye Name: ethyl (Z)-2-cyano-3-[4-(cyanomethyl)-7-(diethylamino)-2-oxo-chromen-3-yl]prop-2-enoate CAS Name: (Z)-2-cyano-3-[4-(cyanomethyl)-7-(diethylamino)-2-oxo-1-benzopyran-3-yl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (Z)-2-cyano-3-[4-(cyanomethyl)-7-(diethylamino)-2-oxochromen-3-yl]prop-2-enoate Traditional Name: (Z)-2-cyano-3-[4-(cyanomethyl)-7-(diethylamino)-2-keto-chromen-3-yl]acrylic acid ethyl ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C(=C(C(=O)O2)C=C(C#N)C(=O)OCC)CC#N

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(=C(C(=O)O2)/C=C(/C#N)\C(=O)OCC)CC#N

InChI

InChI=1S/C21H21N3O4/c1-4-24(5-2)15-7-8-17-16(9-10-22)18(21(26)28-19(17)12-15)11-14(13-23)20(25)27-6-3/h7-8,11-12H,4-6,9H2,1-3H3/b14-11-