(2,6-dimethylphenyl) 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: (2,6-dimethylphenyl) 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: (2,6-dimethylphenyl) 4-(4-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(4-methyl-1-piperidinyl)-3-nitrobenzoic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) 4-(4-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(4-methylpiperidino)-3-nitro-benzoic acid (2,6-dimethylphenyl) ester Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC3=C(C=CC=C3C)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC3=C(C=CC=C3C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O4/c1-14-9-11-22(12-10-14)18-8-7-17(13-19(18)23(25)26)21(24)27-20-15(2)5-4-6-16(20)3/h4-8,13-14H,9-12H2,1-3H3