4-chloranyl-N-[2-(3,5-dimethylpiperidin-1-yl)carbonylphenyl]-2-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[2-(3,5-dimethylpiperidin-1-yl)carbonylphenyl]-2-nitro-benzamide Openeye Name: 4-chloro-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-nitro-benzamide CAS Name: 4-chloro-N-[2-[(3,5-dimethyl-1-piperidinyl)-oxomethyl]phenyl]-2-nitrobenzamide IUPAC Name: 4-chloro-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-nitrobenzamide Traditional Name: 4-chloro-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-nitro-benzamide Formula: C21H22ClN3O4 MolecularWeight: 415.87008

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C2=CC=CC=C2NC(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)C(=O)C2=CC=CC=C2NC(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C21H22ClN3O4/c1-13-9-14(2)12-24(11-13)21(27)16-5-3-4-6-18(16)23-20(26)17-8-7-15(22)10-19(17)25(28)29/h3-8,10,13-14H,9,11-12H2,1-2H3,(H,23,26)