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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O5/c1-14-4-3-11-22(13-14)19-10-7-17(12-20(19)23(26)27)21(25)28-18-8-5-16(6-9-18)15(2)24/h5-10,12,14H,3-4,11,13H2,1-2H3