O4-[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] O1-ethyl (E)-but-2-enedioate

Systemtic Name: O4-[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] O1-ethyl (E)-but-2-enedioate Openeye Name: O4-[(3R)-3-cyano-4-imino-2-oxo-pentyl] O1-ethyl (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O4-[(3R)-3-cyano-4-imino-2-oxopentyl] ester O1-ethyl ester IUPAC Name: 4-O-[(3R)-3-cyano-4-imino-2-oxopentyl] 1-O-ethyl (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O4-[(3R)-3-cyano-4-imino-2-keto-pentyl] ester O1-ethyl ester Formula: C12H14N2O5 MolecularWeight: 266.24996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)/C=C/C(=O)OCC(=O)[C@@H](C#N)C(=N)C

InChI

InChI=1S/C12H14N2O5/c1-3-18-11(16)4-5-12(17)19-7-10(15)9(6-13)8(2)14/h4-5,9,14H,3,7H2,1-2H3/b5-4+,14-8?/t9-/m0/s1