2-oxidanylidenepropyl 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: 2-oxidanylidenepropyl 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: acetonyl 4-(4-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(4-methyl-1-piperidinyl)-3-nitrobenzoic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 4-(4-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(4-methylpiperidino)-3-nitro-benzoic acid acetonyl ester Formula: C16H20N2O5 MolecularWeight: 320.3404

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C16H20N2O5/c1-11-5-7-17(8-6-11)14-4-3-13(9-15(14)18(21)22)16(20)23-10-12(2)19/h3-4,9,11H,5-8,10H2,1-2H3