ethyl 2-[[3-cyano-5-oxidanylidene-1-(phenylmethyl)-2H-pyrrol-4-yl]amino]ethanoate

Systemtic Name: ethyl 2-[[3-cyano-5-oxidanylidene-1-(phenylmethyl)-2H-pyrrol-4-yl]amino]ethanoate Openeye Name: ethyl 2-[(1-benzyl-3-cyano-5-oxo-2H-pyrrol-4-yl)amino]acetate CAS Name: 2-[[3-cyano-5-oxo-1-(phenylmethyl)-2H-pyrrol-4-yl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[(1-benzyl-3-cyano-5-oxo-2H-pyrrol-4-yl)amino]acetate Traditional Name: 2-[(1-benzyl-4-cyano-2-keto-3-pyrrolin-3-yl)amino]acetic acid ethyl ester Formula: C16H17N3O3 MolecularWeight: 299.32448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC1=C(CN(C1=O)CC2=CC=CC=C2)C#N

Isomeric SMILES

CCOC(=O)CNC1=C(CN(C1=O)CC2=CC=CC=C2)C#N

InChI

InChI=1S/C16H17N3O3/c1-2-22-14(20)9-18-15-13(8-17)11-19(16(15)21)10-12-6-4-3-5-7-12/h3-7,18H,2,9-11H2,1H3