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

Systemtic Name: ethyl 1-(aminocarbonylamino)-4-cyano-2,5-dimethyl-5-oxidanyl-4-phenyl-pyrrole-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C17H20N4O4 MolecularWeight: 344.3651

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O4/c1-4-25-14(22)13-11(2)21(20-15(19)23)16(3,24)17(13,10-18)12-8-6-5-7-9-12/h5-9,24H,4H2,1-3H3,(H3,19,20,23)