[2-(3-bromophenyl)-2-oxidanylidene-ethyl] 3-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: [2-(3-bromophenyl)-2-oxidanylidene-ethyl] 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: [2-(3-bromophenyl)-2-oxo-ethyl] 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid [2-(3-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromophenyl)-2-oxoethyl] 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid [2-(3-bromophenyl)-2-keto-ethyl] ester Formula: C20H19BrN2O5 MolecularWeight: 447.27926

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC(=CC=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC(=CC=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C20H19BrN2O5/c21-16-6-4-5-14(11-16)19(24)13-28-20(25)15-7-8-17(18(12-15)23(26)27)22-9-2-1-3-10-22/h4-8,11-12H,1-3,9-10,13H2