N-heptan-2-yl-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-heptan-2-yl-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-(1-methylhexyl)-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-heptan-2-yl-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-heptan-2-yl-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(1-methylhexyl)-3-nitro-4-pyrrolidino-benzamide Formula: C18H27N3O3 MolecularWeight: 333.42528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O3/c1-3-4-5-8-14(2)19-18(22)15-9-10-16(17(13-15)21(23)24)20-11-6-7-12-20/h9-10,13-14H,3-8,11-12H2,1-2H3,(H,19,22)