tert-butyl 2-(4-nitrophenyl)-5-propan-2-yl-pyrrole-1-carboxylate

Systemtic Name: tert-butyl 2-(4-nitrophenyl)-5-propan-2-yl-pyrrole-1-carboxylate Openeye Name: tert-butyl 2-isopropyl-5-(4-nitrophenyl)pyrrole-1-carboxylate CAS Name: 2-(4-nitrophenyl)-5-propan-2-yl-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(4-nitrophenyl)-5-propan-2-ylpyrrole-1-carboxylate Traditional Name: 2-isopropyl-5-(4-nitrophenyl)pyrrole-1-carboxylic acid tert-butyl ester Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(N1C(=O)OC(C)(C)C)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(N1C(=O)OC(C)(C)C)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H22N2O4/c1-12(2)15-10-11-16(19(15)17(21)24-18(3,4)5)13-6-8-14(9-7-13)20(22)23/h6-12H,1-5H3