ethyl 4-[1-(2-azanyl-3-nitro-phenoxy)-1-oxidanyl-2-(piperidin-4-ylamino)propyl]benzoate

Systemtic Name: ethyl 4-[1-(2-azanyl-3-nitro-phenoxy)-1-oxidanyl-2-(piperidin-4-ylamino)propyl]benzoate Openeye Name: ethyl 4-[1-(2-amino-3-nitro-phenoxy)-1-hydroxy-2-(4-piperidylamino)propyl]benzoate CAS Name: 4-[1-(2-amino-3-nitrophenoxy)-1-hydroxy-2-(4-piperidinylamino)propyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[1-(2-amino-3-nitrophenoxy)-1-hydroxy-2-(piperidin-4-ylamino)propyl]benzoate Traditional Name: 4-[1-(2-amino-3-nitro-phenoxy)-1-hydroxy-2-(4-piperidylamino)propyl]benzoic acid ethyl ester Formula: C23H30N4O6 MolecularWeight: 458.5075

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C(C(C)NC2CCNCC2)(O)OC3=CC=CC(=C3N)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C(C(C)NC2CCNCC2)(O)OC3=CC=CC(=C3N)[N+](=O)[O-]

InChI

InChI=1S/C23H30N4O6/c1-3-32-22(28)16-7-9-17(10-8-16)23(29,15(2)26-18-11-13-25-14-12-18)33-20-6-4-5-19(21(20)24)27(30)31/h4-10,15,18,25-26,29H,3,11-14,24H2,1-2H3