N-(4-methylpentyl)-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-(4-methylpentyl)-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-isohexyl-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-(4-methylpentyl)-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-(4-methylpentyl)-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-isohexyl-3-nitro-4-pyrrolidino-benzamide Formula: C17H25N3O3 MolecularWeight: 319.3987

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCNC(=O)C1=CC(=C(C=C1)N2CCCC2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCCNC(=O)C1=CC(=C(C=C1)N2CCCC2)[N+](=O)[O-]

InChI

InChI=1S/C17H25N3O3/c1-13(2)6-5-9-18-17(21)14-7-8-15(16(12-14)20(22)23)19-10-3-4-11-19/h7-8,12-13H,3-6,9-11H2,1-2H3,(H,18,21)