[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-methylfuran-3-carboxylate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-methylfuran-3-carboxylate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 2-methylfuran-3-carboxylate CAS Name: 2-methyl-3-furancarboxylic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 2-methylfuran-3-carboxylate Traditional Name: 2-methylfuran-3-carboxylic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C12H12N2O4 MolecularWeight: 248.23468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=C(C=CO1)C(=O)OCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C12H12N2O4/c1-7(14)10(5-13)11(15)6-18-12(16)9-3-4-17-8(9)2/h3-4,10,14H,6H2,1-2H3/t10-/m1/s1