[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 1-(4-methoxyphenyl)-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 1-(4-methoxyphenyl)-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 1-(4-methoxyphenyl)-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-(4-methoxyphenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C(=O)OCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C20H21N3O4/c1-12-9-17(20(25)27-11-19(24)18(10-21)13(2)22)14(3)23(12)15-5-7-16(26-4)8-6-15/h5-9,18,22H,11H2,1-4H3/t18-/m1/s1