[(2R)-1-oxidanylidene-1-[(4-piperidin-1-ylphenyl)amino]propan-2-yl] 4-azanyl-3-nitro-benzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(4-piperidin-1-ylphenyl)amino]propan-2-yl] 4-azanyl-3-nitro-benzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-[4-(1-piperidyl)anilino]ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [(2R)-1-oxo-1-[4-(1-piperidinyl)anilino]propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [(1R)-2-keto-1-methyl-2-(4-piperidinoanilino)ethyl] ester Formula: C21H24N4O5 MolecularWeight: 412.43906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N2CCCCC2)OC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)N2CCCCC2)OC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O5/c1-14(30-21(27)15-5-10-18(22)19(13-15)25(28)29)20(26)23-16-6-8-17(9-7-16)24-11-3-2-4-12-24/h5-10,13-14H,2-4,11-12,22H2,1H3,(H,23,26)/t14-/m1/s1