diethyl 2-[[[4-cyano-1-(phenylmethyl)pyrrol-2-yl]amino]methylidene]propanedioate

Systemtic Name: diethyl 2-[[[4-cyano-1-(phenylmethyl)pyrrol-2-yl]amino]methylidene]propanedioate Openeye Name: diethyl 2-[[(1-benzyl-4-cyano-pyrrol-2-yl)amino]methylene]propanedioate CAS Name: 2-[[[4-cyano-1-(phenylmethyl)-2-pyrrolyl]amino]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[(1-benzyl-4-cyanopyrrol-2-yl)amino]methylidene]propanedioate Traditional Name: 2-[[(1-benzyl-4-cyano-pyrrol-2-yl)amino]methylene]malonic acid diethyl ester Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=CC(=CN1CC2=CC=CC=C2)C#N)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CNC1=CC(=CN1CC2=CC=CC=C2)C#N)C(=O)OCC

InChI

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