2-oxidanylidenepropyl 5-nitro-2-[4-(phenylmethyl)piperidin-1-yl]benzoate

Systemtic Name: 2-oxidanylidenepropyl 5-nitro-2-[4-(phenylmethyl)piperidin-1-yl]benzoate Openeye Name: acetonyl 2-(4-benzyl-1-piperidyl)-5-nitro-benzoate CAS Name: 5-nitro-2-[4-(phenylmethyl)-1-piperidinyl]benzoic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 2-(4-benzylpiperidin-1-yl)-5-nitrobenzoate Traditional Name: 2-(4-benzylpiperidino)-5-nitro-benzoic acid acetonyl ester Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H24N2O5/c1-16(25)15-29-22(26)20-14-19(24(27)28)7-8-21(20)23-11-9-18(10-12-23)13-17-5-3-2-4-6-17/h2-8,14,18H,9-13,15H2,1H3