(3,4-dimethylphenyl)-(5-nitro-2-piperidin-1-yl-phenyl)methanone

Systemtic Name: (3,4-dimethylphenyl)-(5-nitro-2-piperidin-1-yl-phenyl)methanone Openeye Name: (3,4-dimethylphenyl)-[5-nitro-2-(1-piperidyl)phenyl]methanone CAS Name: (3,4-dimethylphenyl)-[5-nitro-2-(1-piperidinyl)phenyl]methanone IUPAC Name: (3,4-dimethylphenyl)-(5-nitro-2-piperidin-1-ylphenyl)methanone Traditional Name: (3,4-dimethylphenyl)-(5-nitro-2-piperidino-phenyl)methanone Formula: C20H22N2O3 MolecularWeight: 338.40028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3)C

InChI

InChI=1S/C20H22N2O3/c1-14-6-7-16(12-15(14)2)20(23)18-13-17(22(24)25)8-9-19(18)21-10-4-3-5-11-21/h6-9,12-13H,3-5,10-11H2,1-2H3