N-[1-(4-methylphenyl)ethyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[1-(4-methylphenyl)ethyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: 3-nitro-N-[1-(p-tolyl)ethyl]-4-pyrrolidin-1-yl-benzamide CAS Name: N-[1-(4-methylphenyl)ethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[1-(4-methylphenyl)ethyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: 3-nitro-N-[1-(p-tolyl)ethyl]-4-pyrrolidino-benzamide Formula: C20H23N3O3 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(C)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O3/c1-14-5-7-16(8-6-14)15(2)21-20(24)17-9-10-18(19(13-17)23(25)26)22-11-3-4-12-22/h5-10,13,15H,3-4,11-12H2,1-2H3,(H,21,24)