[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C16H14N4O4 MolecularWeight: 326.30676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)C1=NN(C(=O)C2=CC=CC=C21)C)/N

InChI

InChI=1S/C16H14N4O4/c1-9(18)12(7-17)13(21)8-24-16(23)14-10-5-3-4-6-11(10)15(22)20(2)19-14/h3-6H,8,18H2,1-2H3/b12-9+