N-[1-(2-methylphenyl)ethyl]-5-nitro-2-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[1-(2-methylphenyl)ethyl]-5-nitro-2-pyrrolidin-1-yl-benzamide Openeye Name: 5-nitro-N-[1-(o-tolyl)ethyl]-2-pyrrolidin-1-yl-benzamide CAS Name: N-[1-(2-methylphenyl)ethyl]-5-nitro-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-[1-(2-methylphenyl)ethyl]-5-nitro-2-pyrrolidin-1-ylbenzamide Traditional Name: 5-nitro-N-[1-(o-tolyl)ethyl]-2-pyrrolidino-benzamide Formula: C20H23N3O3 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3

Isomeric SMILES

CC1=CC=CC=C1C(C)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3

InChI

InChI=1S/C20H23N3O3/c1-14-7-3-4-8-17(14)15(2)21-20(24)18-13-16(23(25)26)9-10-19(18)22-11-5-6-12-22/h3-4,7-10,13,15H,5-6,11-12H2,1-2H3,(H,21,24)