[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 3-methylbenzo[g][1]benzofuran-2-carboxylate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 3-methylbenzo[g][1]benzofuran-2-carboxylate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 3-methylbenzo[g]benzofuran-2-carboxylate CAS Name: 3-methyl-2-benzo[g]benzofurancarboxylic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 3-methylbenzo[g][1]benzofuran-2-carboxylate Traditional Name: 3-methylbenzo[g]benzofuran-2-carboxylic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C20H16N2O4 MolecularWeight: 348.35204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=CC3=CC=CC=C32)C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=C(OC2=C1C=CC3=CC=CC=C32)C(=O)OCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C20H16N2O4/c1-11-14-8-7-13-5-3-4-6-15(13)19(14)26-18(11)20(24)25-10-17(23)16(9-21)12(2)22/h3-8,16,22H,10H2,1-2H3/t16-/m1/s1