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

Systemtic Name: ethyl 4-cyano-1-(methoxycarbonylamino)-2,5-dimethyl-5-oxidanyl-4-phenyl-pyrrole-3-carboxylate Openeye Name: ethyl 4-cyano-5-hydroxy-1-(methoxycarbonylamino)-2,5-dimethyl-4-phenyl-pyrrole-3-carboxylate CAS Name: 4-cyano-5-hydroxy-1-(methoxycarbonylamino)-2,5-dimethyl-4-phenyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-hydroxy-1-(methoxycarbonylamino)-2,5-dimethyl-4-phenylpyrrole-3-carboxylate Traditional Name: 1-(carbomethoxyamino)-4-cyano-5-hydroxy-2,5-dimethyl-4-phenyl-2-pyrroline-3-carboxylic acid ethyl ester Formula: C18H21N3O5 MolecularWeight: 359.37644

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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)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O5/c1-5-26-15(22)14-12(2)21(20-16(23)25-4)17(3,24)18(14,11-19)13-9-7-6-8-10-13/h6-10,24H,5H2,1-4H3,(H,20,23)