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

Systemtic Name: [(1R)-1-(3-nitrophenyl)ethyl] 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: [(1R)-1-(3-nitrophenyl)ethyl] 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-cyclopropyl-2,5-dimethyl-3-pyrrolecarboxylic acid [(1R)-1-(3-nitrophenyl)ethyl] ester IUPAC Name: [(1R)-1-(3-nitrophenyl)ethyl] 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylic acid [(1R)-1-(3-nitrophenyl)ethyl] ester Formula: C18H20N2O4 MolecularWeight: 328.3624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)OC(C)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)O[C@H](C)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O4/c1-11-9-17(12(2)19(11)15-7-8-15)18(21)24-13(3)14-5-4-6-16(10-14)20(22)23/h4-6,9-10,13,15H,7-8H2,1-3H3/t13-/m1/s1