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

Systemtic Name: ethyl 2,4-dimethyl-5-[[2-(4-nitrophenyl)-2-oxidanyl-ethyl]carbamoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C18H21N3O6 MolecularWeight: 375.37584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)NCC(C2=CC=C(C=C2)[N+](=O)[O-])O)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)NCC(C2=CC=C(C=C2)[N+](=O)[O-])O)C

InChI

InChI=1S/C18H21N3O6/c1-4-27-18(24)15-10(2)16(20-11(15)3)17(23)19-9-14(22)12-5-7-13(8-6-12)21(25)26/h5-8,14,20,22H,4,9H2,1-3H3,(H,19,23)