[2-[[3-(methylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-nitro-2-piperidin-1-yl-benzoate

Systemtic Name: [2-[[3-(methylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-nitro-2-piperidin-1-yl-benzoate Openeye Name: [2-[3-(methylcarbamoyl)anilino]-2-oxo-ethyl] 5-nitro-2-(1-piperidyl)benzoate CAS Name: 5-nitro-2-(1-piperidinyl)benzoic acid [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 5-nitro-2-piperidin-1-ylbenzoate Traditional Name: 5-nitro-2-piperidino-benzoic acid [2-keto-2-[3-(methylcarbamoyl)anilino]ethyl] ester Formula: C22H24N4O6 MolecularWeight: 440.44916

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC(=CC=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3

Isomeric SMILES

CNC(=O)C1=CC(=CC=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3

InChI

InChI=1S/C22H24N4O6/c1-23-21(28)15-6-5-7-16(12-15)24-20(27)14-32-22(29)18-13-17(26(30)31)8-9-19(18)25-10-3-2-4-11-25/h5-9,12-13H,2-4,10-11,14H2,1H3,(H,23,28)(H,24,27)