N-butan-2-yl-7-nitro-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-4-carboxamide

Systemtic Name: N-butan-2-yl-7-nitro-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-4-carboxamide Openeye Name: 7-nitro-N-sec-butyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-4-carboxamide CAS Name: N-butan-2-yl-7-nitro-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-4-carboxamide IUPAC Name: N-butan-2-yl-7-nitro-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-4-carboxamide Traditional Name: 7-nitro-N-sec-butyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-4-carboxamide Formula: C17H23N3O3 MolecularWeight: 317.38282

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1CC2=C(C=CC(=C2)[N+](=O)[O-])N3C1CCC3

Isomeric SMILES

CCC(C)NC(=O)C1CC2=C(C=CC(=C2)[N+](=O)[O-])N3C1CCC3

InChI

InChI=1S/C17H23N3O3/c1-3-11(2)18-17(21)14-10-12-9-13(20(22)23)6-7-15(12)19-8-4-5-16(14)19/h6-7,9,11,14,16H,3-5,8,10H2,1-2H3,(H,18,21)