[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate CAS Name: 4-(2,5-dimethyl-1-pyrrolyl)benzoic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate Traditional Name: 4-(2,5-dimethylpyrrol-1-yl)benzoic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C19H19N3O3 MolecularWeight: 337.37246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O3/c1-12-4-5-13(2)22(12)16-8-6-15(7-9-16)19(24)25-11-18(23)17(10-20)14(3)21/h4-9,17,21H,11H2,1-3H3/t17-/m1/s1