tert-butyl 2,5-dimethyl-4-(4-nitrophenyl)-1H-pyrrole-3-carboxylate

Systemtic Name: tert-butyl 2,5-dimethyl-4-(4-nitrophenyl)-1H-pyrrole-3-carboxylate Openeye Name: tert-butyl 2,5-dimethyl-4-(4-nitrophenyl)-1H-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-(4-nitrophenyl)-1H-pyrrole-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2,5-dimethyl-4-(4-nitrophenyl)-1H-pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-4-(4-nitrophenyl)-1H-pyrrole-3-carboxylic acid tert-butyl ester Formula: C17H20N2O4 MolecularWeight: 316.3517

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1)C)C(=O)OC(C)(C)C)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=C(N1)C)C(=O)OC(C)(C)C)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

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