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

Systemtic Name: N-[(4-methylphenyl)methyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: 3-nitro-N-(p-tolylmethyl)-4-pyrrolidin-1-yl-benzamide CAS Name: N-[(4-methylphenyl)methyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[(4-methylphenyl)methyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(4-methylbenzyl)-3-nitro-4-pyrrolidino-benzamide Formula: C19H21N3O3 MolecularWeight: 339.38834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O3/c1-14-4-6-15(7-5-14)13-20-19(23)16-8-9-17(18(12-16)22(24)25)21-10-2-3-11-21/h4-9,12H,2-3,10-11,13H2,1H3,(H,20,23)