ethyl (E)-2-cyano-3-[2-(2-pyridin-3-ylquinolin-4-yl)carbonylhydrazinyl]prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[2-(2-pyridin-3-ylquinolin-4-yl)carbonylhydrazinyl]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[2-[2-(3-pyridyl)quinoline-4-carbonyl]hydrazino]prop-2-enoate CAS Name: (E)-2-cyano-3-[[oxo-[2-(3-pyridinyl)-4-quinolinyl]methyl]hydrazo]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-[2-(2-pyridin-3-ylquinoline-4-carbonyl)hydrazinyl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[N'-[2-(3-pyridyl)quinoline-4-carbonyl]hydrazino]acrylic acid ethyl ester Formula: C21H17N5O3 MolecularWeight: 387.39138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CN=CC=C3)C#N

Isomeric SMILES

CCOC(=O)/C(=C/NNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CN=CC=C3)/C#N

InChI

InChI=1S/C21H17N5O3/c1-2-29-21(28)15(11-22)13-24-26-20(27)17-10-19(14-6-5-9-23-12-14)25-18-8-4-3-7-16(17)18/h3-10,12-13,24H,2H2,1H3,(H,26,27)/b15-13+