ethyl 5-tert-butyl-2-methyl-1-(4-nitrophenyl)pyrrole-3-carboxylate

Systemtic Name: ethyl 5-tert-butyl-2-methyl-1-(4-nitrophenyl)pyrrole-3-carboxylate Openeye Name: ethyl 5-tert-butyl-2-methyl-1-(4-nitrophenyl)pyrrole-3-carboxylate CAS Name: 5-tert-butyl-2-methyl-1-(4-nitrophenyl)-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-tert-butyl-2-methyl-1-(4-nitrophenyl)pyrrole-3-carboxylate Traditional Name: 5-tert-butyl-2-methyl-1-(4-nitrophenyl)pyrrole-3-carboxylic acid ethyl ester Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O4/c1-6-24-17(21)15-11-16(18(3,4)5)19(12(15)2)13-7-9-14(10-8-13)20(22)23/h7-11H,6H2,1-5H3