ethyl (E)-2-cyano-3-[2-(4-oxidanylidene-3-phenyl-phthalazin-1-yl)carbonylhydrazinyl]prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[2-(4-oxidanylidene-3-phenyl-phthalazin-1-yl)carbonylhydrazinyl]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[2-(4-oxo-3-phenyl-phthalazine-1-carbonyl)hydrazino]prop-2-enoate CAS Name: (E)-2-cyano-3-[[oxo-(4-oxo-3-phenyl-1-phthalazinyl)methyl]hydrazo]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-[2-(4-oxo-3-phenylphthalazine-1-carbonyl)hydrazinyl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[N'-(4-keto-3-phenyl-phthalazine-1-carbonyl)hydrazino]acrylic acid ethyl ester Formula: C21H17N5O4 MolecularWeight: 403.39078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)/C(=C/NNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=CC=C3)/C#N

InChI

InChI=1S/C21H17N5O4/c1-2-30-21(29)14(12-22)13-23-24-19(27)18-16-10-6-7-11-17(16)20(28)26(25-18)15-8-4-3-5-9-15/h3-11,13,23H,2H2,1H3,(H,24,27)/b14-13+