methyl 2-[3-[2-[(5-nitropyridin-2-yl)amino]ethylamino]-2-oxidanyl-propoxy]benzoate

Systemtic Name: methyl 2-[3-[2-[(5-nitropyridin-2-yl)amino]ethylamino]-2-oxidanyl-propoxy]benzoate Openeye Name: methyl 2-[2-hydroxy-3-[2-[(5-nitro-2-pyridyl)amino]ethylamino]propoxy]benzoate CAS Name: 2-[2-hydroxy-3-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]propoxy]benzoic acid methyl ester IUPAC Name: methyl 2-[2-hydroxy-3-[2-[(5-nitropyridin-2-yl)amino]ethylamino]propoxy]benzoate Traditional Name: 2-[2-hydroxy-3-[2-[(5-nitro-2-pyridyl)amino]ethylamino]propoxy]benzoic acid methyl ester Formula: C18H22N4O6 MolecularWeight: 390.39048

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1OCC(CNCCNC2=NC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

COC(=O)C1=CC=CC=C1OCC(CNCCNC2=NC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C18H22N4O6/c1-27-18(24)15-4-2-3-5-16(15)28-12-14(23)11-19-8-9-20-17-7-6-13(10-21-17)22(25)26/h2-7,10,14,19,23H,8-9,11-12H2,1H3,(H,20,21)