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

Systemtic Name: ethyl (E)-2-cyano-3-[2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylhydrazinyl]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[2-(3-methyl-4-oxo-phthalazine-1-carbonyl)hydrazino]prop-2-enoate CAS Name: (E)-2-cyano-3-[[(3-methyl-4-oxo-1-phthalazinyl)-oxomethyl]hydrazo]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-[2-(3-methyl-4-oxophthalazine-1-carbonyl)hydrazinyl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[N'-(4-keto-3-methyl-phthalazine-1-carbonyl)hydrazino]acrylic acid ethyl ester Formula: C16H15N5O4 MolecularWeight: 341.3214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N5O4/c1-3-25-16(24)10(8-17)9-18-19-14(22)13-11-6-4-5-7-12(11)15(23)21(2)20-13/h4-7,9,18H,3H2,1-2H3,(H,19,22)/b10-9+