[2-oxidanylidene-2-[[1-(phenylmethyl)piperidin-4-yl]amino]ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[[1-(phenylmethyl)piperidin-4-yl]amino]ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: [2-[(1-benzyl-4-piperidyl)amino]-2-oxo-ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid [2-oxo-2-[[1-(phenylmethyl)-4-piperidinyl]amino]ethyl] ester IUPAC Name: [2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl] 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid [2-[(1-benzyl-4-piperidyl)amino]-2-keto-ethyl] ester Formula: C23H28N4O6 MolecularWeight: 456.49162

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO)CC3=CC=CC=C3

InChI

InChI=1S/C23H28N4O6/c28-13-10-24-21-7-6-19(27(31)32)14-20(21)23(30)33-16-22(29)25-18-8-11-26(12-9-18)15-17-4-2-1-3-5-17/h1-7,14,18,24,28H,8-13,15-16H2,(H,25,29)