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

Systemtic Name: phenacyl 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: phenacyl 4-(3-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3-methyl-1-piperidinyl)-3-nitrobenzoic acid phenacyl ester IUPAC Name: phenacyl 4-(3-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3-methylpiperidino)-3-nitro-benzoic acid phenacyl 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)OCC(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5/c1-15-6-5-11-22(13-15)18-10-9-17(12-19(18)23(26)27)21(25)28-14-20(24)16-7-3-2-4-8-16/h2-4,7-10,12,15H,5-6,11,13-14H2,1H3