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

Systemtic Name: tert-butyl 4-methyl-3-(4-nitrophenyl)-1-prop-2-enyl-pyrrole-2-carboxylate Openeye Name: tert-butyl 1-allyl-4-methyl-3-(4-nitrophenyl)pyrrole-2-carboxylate CAS Name: 4-methyl-3-(4-nitrophenyl)-1-prop-2-enyl-2-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-methyl-3-(4-nitrophenyl)-1-prop-2-enylpyrrole-2-carboxylate Traditional Name: 1-allyl-4-methyl-3-(4-nitrophenyl)pyrrole-2-carboxylic acid tert-butyl ester Formula: C19H22N2O4 MolecularWeight: 342.38898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O4/c1-6-11-20-12-13(2)16(17(20)18(22)25-19(3,4)5)14-7-9-15(10-8-14)21(23)24/h6-10,12H,1,11H2,2-5H3