[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 4-bromanyl-3-nitro-benzoate

Systemtic Name: [2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 4-bromanyl-3-nitro-benzoate Openeye Name: [2-(3-methyl-1-piperidyl)-2-oxo-ethyl] 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid [2-(3-methyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid [2-keto-2-(3-methylpiperidino)ethyl] ester Formula: C15H17BrN2O5 MolecularWeight: 385.20988

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)COC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C(=O)COC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C15H17BrN2O5/c1-10-3-2-6-17(8-10)14(19)9-23-15(20)11-4-5-12(16)13(7-11)18(21)22/h4-5,7,10H,2-3,6,8-9H2,1H3