methyl 1-(aminocarbonylamino)-4-cyano-2,5-dimethyl-5-oxidanyl-4-phenyl-pyrrole-3-carboxylate

Systemtic Name: methyl 1-(aminocarbonylamino)-4-cyano-2,5-dimethyl-5-oxidanyl-4-phenyl-pyrrole-3-carboxylate Openeye Name: methyl 4-cyano-5-hydroxy-2,5-dimethyl-4-phenyl-1-ureido-pyrrole-3-carboxylate CAS Name: 1-(carbamoylamino)-4-cyano-5-hydroxy-2,5-dimethyl-4-phenyl-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1-(carbamoylamino)-4-cyano-5-hydroxy-2,5-dimethyl-4-phenylpyrrole-3-carboxylate Traditional Name: 4-cyano-5-hydroxy-2,5-dimethyl-4-phenyl-1-ureido-2-pyrroline-3-carboxylic acid methyl ester Formula: C16H18N4O4 MolecularWeight: 330.33852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O4/c1-10-12(13(21)24-3)16(9-17,11-7-5-4-6-8-11)15(2,23)20(10)19-14(18)22/h4-8,23H,1-3H3,(H3,18,19,22)