[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 5-methylfuran-2-carboxylate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 5-methylfuran-2-carboxylate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 5-methylfuran-2-carboxylate CAS Name: 5-methyl-2-furancarboxylic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 5-methylfuran-2-carboxylate Traditional Name: 5-methylfuran-2-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=CC=C(O1)C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=CC=C(O1)C(=O)OCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C12H12N2O4/c1-7-3-4-11(18-7)12(16)17-6-10(15)9(5-13)8(2)14/h3-4,9,14H,6H2,1-2H3/t9-/m1/s1