ethyl 6-[[3-[6-[(4-nitrophenyl)diazenyl]pyridin-3-yl]oxy-2-oxidanyl-propyl]-piperidin-4-yl-amino]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[[3-[6-[(4-nitrophenyl)diazenyl]pyridin-3-yl]oxy-2-oxidanyl-propyl]-piperidin-4-yl-amino]pyridine-3-carboxylate Openeye Name: ethyl 6-[[2-hydroxy-3-[[6-(4-nitrophenyl)azo-3-pyridyl]oxy]propyl]-(4-piperidyl)amino]pyridine-3-carboxylate CAS Name: 6-[[2-hydroxy-3-[[6-(4-nitrophenyl)azo-3-pyridinyl]oxy]propyl]-(4-piperidinyl)amino]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[[2-hydroxy-3-[6-[(4-nitrophenyl)diazenyl]pyridin-3-yl]oxypropyl]-piperidin-4-ylamino]pyridine-3-carboxylate Traditional Name: 6-[[2-hydroxy-3-[[6-(4-nitrophenyl)azo-3-pyridyl]oxy]propyl]-(4-piperidyl)amino]nicotinic acid ethyl ester Formula: C27H31N7O6 MolecularWeight: 549.57834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)N(CC(COC2=CN=C(C=C2)N=NC3=CC=C(C=C3)[N+](=O)[O-])O)C4CCNCC4

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)N(CC(COC2=CN=C(C=C2)N=NC3=CC=C(C=C3)[N+](=O)[O-])O)C4CCNCC4

InChI

InChI=1S/C27H31N7O6/c1-2-39-27(36)19-3-10-26(30-15-19)33(21-11-13-28-14-12-21)17-23(35)18-40-24-8-9-25(29-16-24)32-31-20-4-6-22(7-5-20)34(37)38/h3-10,15-16,21,23,28,35H,2,11-14,17-18H2,1H3