O2-[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] O4-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O2-[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] O4-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-[(3S)-3-cyano-4-imino-2-oxo-pentyl] O4-isopropyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[(3S)-3-cyano-4-imino-2-oxopentyl] ester O4-propan-2-yl ester IUPAC Name: 2-O-[(3S)-3-cyano-4-imino-2-oxopentyl] 4-O-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[(3S)-3-cyano-4-imino-2-keto-pentyl] ester O4-isopropyl ester Formula: C17H21N3O5 MolecularWeight: 347.36574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)OCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C17H21N3O5/c1-8(2)25-16(22)14-9(3)15(20-11(14)5)17(23)24-7-13(21)12(6-18)10(4)19/h8,12,19-20H,7H2,1-5H3/t12-/m1/s1