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

Systemtic Name: 3-[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[(E)-4-amino-3-cyano-2-oxo-pent-3-enyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[(E)-4-amino-3-cyano-2-oxopent-3-enyl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[(E)-4-amino-3-cyano-2-oxopent-3-enyl]-4-oxophthalazine-1-carboxylate Traditional Name: 3-[(E)-4-amino-3-cyano-2-keto-pent-3-enyl]-4-keto-phthalazine-1-carboxylate Formula: C15H11N4O4- MolecularWeight: 311.27224

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)[O-])N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)[O-])/N

InChI

InChI=1S/C15H12N4O4/c1-8(17)11(6-16)12(20)7-19-14(21)10-5-3-2-4-9(10)13(18-19)15(22)23/h2-5H,7,17H2,1H3,(H,22,23)/p-1/b11-8+