O1-[(Z)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] O4-[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] (E)-but-2-enedioate

Systemtic Name: O1-[(Z)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] O4-[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] (E)-but-2-enedioate Openeye Name: O1-[(Z)-4-amino-3-cyano-2-oxo-pent-3-enyl] O4-[(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O1-[(Z)-4-amino-3-cyano-2-oxopent-3-enyl] ester O4-[(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: 1-O-[(Z)-4-amino-3-cyano-2-oxopent-3-enyl] 4-O-[(E)-4-amino-3-cyano-2-oxopent-3-enyl] (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O1-[(Z)-4-amino-3-cyano-2-keto-pent-3-enyl] ester O4-[(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C16H16N4O6 MolecularWeight: 360.32144

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)C=CC(=O)OCC(=O)C(=C(C)N)C#N)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)/C=C/C(=O)OCC(=O)/C(=C(/C)\N)/C#N)/N

InChI

InChI=1S/C16H16N4O6/c1-9(19)11(5-17)13(21)7-25-15(23)3-4-16(24)26-8-14(22)12(6-18)10(2)20/h3-4H,7-8,19-20H2,1-2H3/b4-3+,11-9-,12-10+