[1-(4-chloranyl-2-nitro-phenyl)carbonylpiperidin-4-yl]-(2,4-dimethylphenyl)methanone

Systemtic Name: [1-(4-chloranyl-2-nitro-phenyl)carbonylpiperidin-4-yl]-(2,4-dimethylphenyl)methanone Openeye Name: [1-(4-chloro-2-nitro-benzoyl)-4-piperidyl]-(2,4-dimethylphenyl)methanone CAS Name: [1-[(4-chloro-2-nitrophenyl)-oxomethyl]-4-piperidinyl]-(2,4-dimethylphenyl)methanone IUPAC Name: [1-(4-chloro-2-nitrobenzoyl)piperidin-4-yl]-(2,4-dimethylphenyl)methanone Traditional Name: [1-(4-chloro-2-nitro-benzoyl)-4-piperidyl]-(2,4-dimethylphenyl)methanone Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)C2CCN(CC2)C(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)C2CCN(CC2)C(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C21H21ClN2O4/c1-13-3-5-17(14(2)11-13)20(25)15-7-9-23(10-8-15)21(26)18-6-4-16(22)12-19(18)24(27)28/h3-6,11-12,15H,7-10H2,1-2H3