2-[1-ethyl-1,4-dimethyl-5-(4-nitrophenyl)carbonyl-pyrrol-1-ium-2-yl]ethanamide

Systemtic Name: 2-[1-ethyl-1,4-dimethyl-5-(4-nitrophenyl)carbonyl-pyrrol-1-ium-2-yl]ethanamide Openeye Name: 2-[1-ethyl-1,4-dimethyl-5-(4-nitrobenzoyl)pyrrol-1-ium-2-yl]acetamide CAS Name: 2-[1-ethyl-1,4-dimethyl-5-[(4-nitrophenyl)-oxomethyl]-2-pyrrol-1-iumyl]acetamide IUPAC Name: 2-[1-ethyl-1,4-dimethyl-5-(4-nitrobenzoyl)pyrrol-1-ium-2-yl]acetamide Traditional Name: 2-[1-ethyl-1,4-dimethyl-5-(4-nitrobenzoyl)pyrrol-1-ium-2-yl]acetamide Formula: C17H20N3O4+ MolecularWeight: 330.3584

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C(=CC(=C1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C)CC(=O)N)C

Isomeric SMILES

CC[N+]1(C(=CC(=C1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C)CC(=O)N)C

InChI

InChI=1S/C17H19N3O4/c1-4-20(3)14(10-15(18)21)9-11(2)16(20)17(22)12-5-7-13(8-6-12)19(23)24/h5-9H,4,10H2,1-3H3,(H-,18,21)/p+1