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

Systemtic Name: methyl 4-cyano-1-(methoxycarbonylamino)-2,5-dimethyl-5-oxidanyl-4-phenyl-pyrrole-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C17H19N3O5 MolecularWeight: 345.34986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O5/c1-11-13(14(21)24-3)17(10-18,12-8-6-5-7-9-12)16(2,23)20(11)19-15(22)25-4/h5-9,23H,1-4H3,(H,19,22)