[(1R)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl] 4-(methylamino)-3-nitro-benzoate

Systemtic Name: [(1R)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl] 4-(methylamino)-3-nitro-benzoate Openeye Name: [(1R)-2-oxo-1-phenyl-2-(1-piperidyl)ethyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [(1R)-2-oxo-1-phenyl-2-(1-piperidinyl)ethyl] ester IUPAC Name: [(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [(1R)-2-keto-1-phenyl-2-piperidino-ethyl] ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OC(C2=CC=CC=C2)C(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)O[C@H](C2=CC=CC=C2)C(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O5/c1-22-17-11-10-16(14-18(17)24(27)28)21(26)29-19(15-8-4-2-5-9-15)20(25)23-12-6-3-7-13-23/h2,4-5,8-11,14,19,22H,3,6-7,12-13H2,1H3/t19-/m1/s1