N-[2-[2-(4-methylphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-3-nitro-benzamide

Systemtic Name: N-[2-[2-(4-methylphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: 3-nitro-N-[2-oxo-2-[2-(p-tolyl)pyrrolidin-1-yl]ethyl]benzamide CAS Name: N-[2-[2-(4-methylphenyl)-1-pyrrolidinyl]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-[2-(4-methylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-[2-keto-2-[2-(p-tolyl)pyrrolidino]ethyl]-3-nitro-benzamide Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CCCN2C(=O)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2CCCN2C(=O)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O4/c1-14-7-9-15(10-8-14)18-6-3-11-22(18)19(24)13-21-20(25)16-4-2-5-17(12-16)23(26)27/h2,4-5,7-10,12,18H,3,6,11,13H2,1H3,(H,21,25)