N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-5-nitro-furan-2-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-5-nitro-furan-2-carboxamide Openeye Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-5-nitro-furan-2-carboxamide CAS Name: N-[2-(1-azepanyl)-2-(1-methyl-2-pyrrolyl)ethyl]-5-nitro-2-furancarboxamide IUPAC Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-5-nitrofuran-2-carboxamide Traditional Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-5-nitro-2-furamide Formula: C18H24N4O4 MolecularWeight: 360.40756

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(CNC(=O)C2=CC=C(O2)[N+](=O)[O-])N3CCCCCC3

Isomeric SMILES

CN1C=CC=C1C(CNC(=O)C2=CC=C(O2)[N+](=O)[O-])N3CCCCCC3

InChI

InChI=1S/C18H24N4O4/c1-20-10-6-7-14(20)15(21-11-4-2-3-5-12-21)13-19-18(23)16-8-9-17(26-16)22(24)25/h6-10,15H,2-5,11-13H2,1H3,(H,19,23)