ethyl 1-(aminocarbonylamino)-4-cyano-2-methyl-5-oxidanylidene-4-phenyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 1-(aminocarbonylamino)-4-cyano-2-methyl-5-oxidanylidene-4-phenyl-pyrrole-3-carboxylate Openeye Name: ethyl 4-cyano-2-methyl-5-oxo-4-phenyl-1-ureido-pyrrole-3-carboxylate CAS Name: 1-(carbamoylamino)-4-cyano-2-methyl-5-oxo-4-phenyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(carbamoylamino)-4-cyano-2-methyl-5-oxo-4-phenylpyrrole-3-carboxylate Traditional Name: 4-cyano-5-keto-2-methyl-4-phenyl-1-ureido-2-pyrroline-3-carboxylic acid ethyl ester Formula: C16H16N4O4 MolecularWeight: 328.32264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)C1(C#N)C2=CC=CC=C2)NC(=O)N)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)C1(C#N)C2=CC=CC=C2)NC(=O)N)C

InChI

InChI=1S/C16H16N4O4/c1-3-24-13(21)12-10(2)20(19-15(18)23)14(22)16(12,9-17)11-7-5-4-6-8-11/h4-8H,3H2,1-2H3,(H3,18,19,23)