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

Systemtic Name: N-(3-methylbutyl)-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-isopentyl-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-(3-methylbutyl)-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-(3-methylbutyl)-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-isoamyl-3-nitro-4-pyrrolidino-benzamide Formula: C16H23N3O3 MolecularWeight: 305.37212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O3/c1-12(2)7-8-17-16(20)13-5-6-14(15(11-13)19(21)22)18-9-3-4-10-18/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,17,20)