ethyl (Z)-3-[4-(azepan-1-yl)-2-oxidanylidene-chromen-3-yl]-2-cyano-prop-2-enoate

Systemtic Name: ethyl (Z)-3-[4-(azepan-1-yl)-2-oxidanylidene-chromen-3-yl]-2-cyano-prop-2-enoate Openeye Name: ethyl (Z)-3-[4-(azepan-1-yl)-2-oxo-chromen-3-yl]-2-cyano-prop-2-enoate CAS Name: (Z)-3-[4-(1-azepanyl)-2-oxo-1-benzopyran-3-yl]-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (Z)-3-[4-(azepan-1-yl)-2-oxochromen-3-yl]-2-cyanoprop-2-enoate Traditional Name: (Z)-3-[4-(azepan-1-yl)-2-keto-chromen-3-yl]-2-cyano-acrylic acid ethyl ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=C(C2=CC=CC=C2OC1=O)N3CCCCCC3)C#N

Isomeric SMILES

CCOC(=O)/C(=C\C1=C(C2=CC=CC=C2OC1=O)N3CCCCCC3)/C#N

InChI

InChI=1S/C21H22N2O4/c1-2-26-20(24)15(14-22)13-17-19(23-11-7-3-4-8-12-23)16-9-5-6-10-18(16)27-21(17)25/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3/b15-13-