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

Systemtic Name: [2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: [2-oxo-2-(p-tolylmethylamino)ethyl] 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid [2-[(4-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid [2-keto-2-[(4-methylbenzyl)amino]ethyl] ester Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O5/c1-16-5-7-17(8-6-16)14-23-21(26)15-30-22(27)18-9-10-19(20(13-18)25(28)29)24-11-3-2-4-12-24/h5-10,13H,2-4,11-12,14-15H2,1H3,(H,23,26)