(4-ethanoylphenyl) 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: (4-ethanoylphenyl) 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: (4-acetylphenyl) 4-(4-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(4-methyl-1-piperidinyl)-3-nitrobenzoic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) 4-(4-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(4-methylpiperidino)-3-nitro-benzoic acid (4-acetylphenyl) ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O5/c1-14-9-11-22(12-10-14)19-8-5-17(13-20(19)23(26)27)21(25)28-18-6-3-16(4-7-18)15(2)24/h3-8,13-14H,9-12H2,1-2H3