tert-butyl 4-ethyl-3-(4-nitrophenyl)-1H-pyrrole-2-carboxylate

Systemtic Name: tert-butyl 4-ethyl-3-(4-nitrophenyl)-1H-pyrrole-2-carboxylate Openeye Name: tert-butyl 4-ethyl-3-(4-nitrophenyl)-1H-pyrrole-2-carboxylate CAS Name: 4-ethyl-3-(4-nitrophenyl)-1H-pyrrole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-ethyl-3-(4-nitrophenyl)-1H-pyrrole-2-carboxylate Traditional Name: 4-ethyl-3-(4-nitrophenyl)-1H-pyrrole-2-carboxylic acid tert-butyl ester Formula: C17H20N2O4 MolecularWeight: 316.3517

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CNC(=C1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=CNC(=C1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC(C)(C)C

InChI

InChI=1S/C17H20N2O4/c1-5-11-10-18-15(16(20)23-17(2,3)4)14(11)12-6-8-13(9-7-12)19(21)22/h6-10,18H,5H2,1-4H3