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

Systemtic Name: tert-butyl 4-methyl-3-(4-nitrophenyl)-1H-pyrrole-2-carboxylate Openeye Name: tert-butyl 4-methyl-3-(4-nitrophenyl)-1H-pyrrole-2-carboxylate CAS Name: 4-methyl-3-(4-nitrophenyl)-1H-pyrrole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-methyl-3-(4-nitrophenyl)-1H-pyrrole-2-carboxylate Traditional Name: 4-methyl-3-(4-nitrophenyl)-1H-pyrrole-2-carboxylic acid tert-butyl ester Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CNC(=C1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CNC(=C1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC(C)(C)C

InChI

InChI=1S/C16H18N2O4/c1-10-9-17-14(15(19)22-16(2,3)4)13(10)11-5-7-12(8-6-11)18(20)21/h5-9,17H,1-4H3