2-methyl-5-(4-nitrophenyl)-1-octan-2-yl-pyrrole-3-carboxamide

Systemtic Name: 2-methyl-5-(4-nitrophenyl)-1-octan-2-yl-pyrrole-3-carboxamide Openeye Name: 2-methyl-1-(1-methylheptyl)-5-(4-nitrophenyl)pyrrole-3-carboxamide CAS Name: 2-methyl-5-(4-nitrophenyl)-1-octan-2-yl-3-pyrrolecarboxamide IUPAC Name: 2-methyl-5-(4-nitrophenyl)-1-octan-2-ylpyrrole-3-carboxamide Traditional Name: 2-methyl-1-(1-methylheptyl)-5-(4-nitrophenyl)pyrrole-3-carboxamide Formula: C20H27N3O3 MolecularWeight: 357.44668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)N1C(=C(C=C1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)N)C

Isomeric SMILES

CCCCCCC(C)N1C(=C(C=C1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)N)C

InChI

InChI=1S/C20H27N3O3/c1-4-5-6-7-8-14(2)22-15(3)18(20(21)24)13-19(22)16-9-11-17(12-10-16)23(25)26/h9-14H,4-8H2,1-3H3,(H2,21,24)