[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 1-ethyl-3-methyl-2-oxidanylidene-quinoxaline-6-carboxylate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 1-ethyl-3-methyl-2-oxidanylidene-quinoxaline-6-carboxylate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 1-ethyl-3-methyl-2-oxo-quinoxaline-6-carboxylate CAS Name: 1-ethyl-3-methyl-2-oxo-6-quinoxalinecarboxylic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate Traditional Name: 1-ethyl-2-keto-3-methyl-quinoxaline-6-carboxylic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C18H18N4O4 MolecularWeight: 354.35992

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)C(C#N)C(=N)C)N=C(C1=O)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)[C@H](C#N)C(=N)C)N=C(C1=O)C

InChI

InChI=1S/C18H18N4O4/c1-4-22-15-6-5-12(7-14(15)21-11(3)17(22)24)18(25)26-9-16(23)13(8-19)10(2)20/h5-7,13,20H,4,9H2,1-3H3/t13-/m1/s1