tert-butyl 4-ethyl-1-[(4-methoxyphenyl)methyl]-3-(4-nitrophenyl)pyrrole-2-carboxylate

Systemtic Name: tert-butyl 4-ethyl-1-[(4-methoxyphenyl)methyl]-3-(4-nitrophenyl)pyrrole-2-carboxylate Openeye Name: tert-butyl 4-ethyl-1-[(4-methoxyphenyl)methyl]-3-(4-nitrophenyl)pyrrole-2-carboxylate CAS Name: 4-ethyl-1-[(4-methoxyphenyl)methyl]-3-(4-nitrophenyl)-2-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-ethyl-1-[(4-methoxyphenyl)methyl]-3-(4-nitrophenyl)pyrrole-2-carboxylate Traditional Name: 4-ethyl-3-(4-nitrophenyl)-1-p-anisyl-pyrrole-2-carboxylic acid tert-butyl ester Formula: C25H28N2O5 MolecularWeight: 436.50022

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN(C(=C1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC(C)(C)C)CC3=CC=C(C=C3)OC

Isomeric SMILES

CCC1=CN(C(=C1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC(C)(C)C)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C25H28N2O5/c1-6-18-16-26(15-17-7-13-21(31-5)14-8-17)23(24(28)32-25(2,3)4)22(18)19-9-11-20(12-10-19)27(29)30/h7-14,16H,6,15H2,1-5H3