methyl 1-(2-cyanoethanoylamino)-2,5-dimethyl-4-(phenylcarbamoyl)pyrrole-3-carboxylate

Systemtic Name: methyl 1-(2-cyanoethanoylamino)-2,5-dimethyl-4-(phenylcarbamoyl)pyrrole-3-carboxylate Openeye Name: methyl 1-[(2-cyanoacetyl)amino]-2,5-dimethyl-4-(phenylcarbamoyl)pyrrole-3-carboxylate CAS Name: 4-[anilino(oxo)methyl]-1-[(2-cyano-1-oxoethyl)amino]-2,5-dimethyl-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1-[(2-cyanoacetyl)amino]-2,5-dimethyl-4-(phenylcarbamoyl)pyrrole-3-carboxylate Traditional Name: 1-[(2-cyanoacetyl)amino]-2,5-dimethyl-4-(phenylcarbamoyl)pyrrole-3-carboxylic acid methyl ester Formula: C18H18N4O4 MolecularWeight: 354.35992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1NC(=O)CC#N)C)C(=O)OC)C(=O)NC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=C(N1NC(=O)CC#N)C)C(=O)OC)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C18H18N4O4/c1-11-15(17(24)20-13-7-5-4-6-8-13)16(18(25)26-3)12(2)22(11)21-14(23)9-10-19/h4-8H,9H2,1-3H3,(H,20,24)(H,21,23)