4-cyano-3-(2-methoxyethyliminomethylamino)-1-(phenylmethyl)pyrrole-2-carboxylic acid

Systemtic Name: 4-cyano-3-(2-methoxyethyliminomethylamino)-1-(phenylmethyl)pyrrole-2-carboxylic acid Openeye Name: 1-benzyl-4-cyano-3-(2-methoxyethyliminomethylamino)pyrrole-2-carboxylic acid CAS Name: 4-cyano-3-(2-methoxyethyliminomethylamino)-1-(phenylmethyl)-2-pyrrolecarboxylic acid IUPAC Name: 1-benzyl-4-cyano-3-(2-methoxyethyliminomethylamino)pyrrole-2-carboxylic acid Traditional Name: 1-benzyl-4-cyano-3-(2-methoxyethyliminomethylamino)pyrrole-2-carboxylic acid Formula: C17H18N4O3 MolecularWeight: 326.34982

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Descriptors Computed from Structure

Canonical SMILES:

COCCN=CNC1=C(N(C=C1C#N)CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

COCCN=CNC1=C(N(C=C1C#N)CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C17H18N4O3/c1-24-8-7-19-12-20-15-14(9-18)11-21(16(15)17(22)23)10-13-5-3-2-4-6-13/h2-6,11-12H,7-8,10H2,1H3,(H,19,20)(H,22,23)