[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] 4-methoxy-2-nitro-5-oxidanyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] 4-methoxy-2-nitro-5-oxidanyl-benzoate Openeye Name: [2-(4-benzyl-1-piperidyl)-2-oxo-ethyl] 5-hydroxy-4-methoxy-2-nitro-benzoate CAS Name: 5-hydroxy-4-methoxy-2-nitrobenzoic acid [2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 5-hydroxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-hydroxy-4-methoxy-2-nitro-benzoic acid [2-(4-benzylpiperidino)-2-keto-ethyl] ester Formula: C22H24N2O7 MolecularWeight: 428.43516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OCC(=O)N2CCC(CC2)CC3=CC=CC=C3)O

Isomeric SMILES

COC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OCC(=O)N2CCC(CC2)CC3=CC=CC=C3)O

InChI

InChI=1S/C22H24N2O7/c1-30-20-13-18(24(28)29)17(12-19(20)25)22(27)31-14-21(26)23-9-7-16(8-10-23)11-15-5-3-2-4-6-15/h2-6,12-13,16,25H,7-11,14H2,1H3