methyl 2,4-dimethyl-5-[[2-(4-nitrophenyl)-2-oxidanyl-ethyl]carbamoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2,4-dimethyl-5-[[2-(4-nitrophenyl)-2-oxidanyl-ethyl]carbamoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[[2-hydroxy-2-(4-nitrophenyl)ethyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[[2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[[2-hydroxy-2-(4-nitrophenyl)ethyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[[2-hydroxy-2-(4-nitrophenyl)ethyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C17H19N3O6 MolecularWeight: 361.34926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)NCC(C2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)NCC(C2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C17H19N3O6/c1-9-14(17(23)26-3)10(2)19-15(9)16(22)18-8-13(21)11-4-6-12(7-5-11)20(24)25/h4-7,13,19,21H,8H2,1-3H3,(H,18,22)