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

Systemtic Name: ethyl 4-[[3-(2-azanyl-3-nitro-phenoxy)-3-oxidanyl-propyl]-piperidin-4-yl-amino]benzoate Openeye Name: ethyl 4-[[3-(2-amino-3-nitro-phenoxy)-3-hydroxy-propyl]-(4-piperidyl)amino]benzoate CAS Name: 4-[[3-(2-amino-3-nitrophenoxy)-3-hydroxypropyl]-(4-piperidinyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-(2-amino-3-nitrophenoxy)-3-hydroxypropyl]-piperidin-4-ylamino]benzoate Traditional Name: 4-[[3-(2-amino-3-nitro-phenoxy)-3-hydroxy-propyl]-(4-piperidyl)amino]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)N(CCC(O)OC2=CC=CC(=C2N)[N+](=O)[O-])C3CCNCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N(CCC(O)OC2=CC=CC(=C2N)[N+](=O)[O-])C3CCNCC3

InChI

InChI=1S/C23H30N4O6/c1-2-32-23(29)16-6-8-17(9-7-16)26(18-10-13-25-14-11-18)15-12-21(28)33-20-5-3-4-19(22(20)24)27(30)31/h3-9,18,21,25,28H,2,10-15,24H2,1H3