N-(5-methylhexan-2-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-(5-methylhexan-2-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-(1,4-dimethylpentyl)-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-(5-methylhexan-2-yl)-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-(5-methylhexan-2-yl)-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(1,4-dimethylpentyl)-3-nitro-4-pyrrolidino-benzamide Formula: C18H27N3O3 MolecularWeight: 333.42528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O3/c1-13(2)6-7-14(3)19-18(22)15-8-9-16(17(12-15)21(23)24)20-10-4-5-11-20/h8-9,12-14H,4-7,10-11H2,1-3H3,(H,19,22)