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

Systemtic Name: [(1R)-1-(3-nitrophenyl)ethyl] 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: [(1R)-1-(3-nitrophenyl)ethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid [(1R)-1-(3-nitrophenyl)ethyl] ester IUPAC Name: [(1R)-1-(3-nitrophenyl)ethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid [(1R)-1-(3-nitrophenyl)ethyl] ester Formula: C17H18N2O5 MolecularWeight: 330.33522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)O[C@H](C)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O5/c1-9-15(11(3)20)10(2)18-16(9)17(21)24-12(4)13-6-5-7-14(8-13)19(22)23/h5-8,12,18H,1-4H3/t12-/m1/s1