ethyl (E)-3-[4-[3-(4-oxidanylidenecinnolin-1-yl)propanoylamino]phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[4-[3-(4-oxidanylidenecinnolin-1-yl)propanoylamino]phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[4-[3-(4-oxocinnolin-1-yl)propanoylamino]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[[1-oxo-3-(4-oxo-1-cinnolinyl)propyl]amino]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-[3-(4-oxocinnolin-1-yl)propanoylamino]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[3-(4-ketocinnolin-1-yl)propanoylamino]phenyl]acrylic acid ethyl ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CC=C(C=C1)NC(=O)CCN2C3=CC=CC=C3C(=O)C=N2

Isomeric SMILES

CCOC(=O)/C=C/C1=CC=C(C=C1)NC(=O)CCN2C3=CC=CC=C3C(=O)C=N2

InChI

InChI=1S/C22H21N3O4/c1-2-29-22(28)12-9-16-7-10-17(11-8-16)24-21(27)13-14-25-19-6-4-3-5-18(19)20(26)15-23-25/h3-12,15H,2,13-14H2,1H3,(H,24,27)/b12-9+