ethyl 4-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-oxidanyl-propoxy]benzoate

Systemtic Name: ethyl 4-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-oxidanyl-propoxy]benzoate Openeye Name: ethyl 4-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-hydroxy-propoxy]benzoate CAS Name: 4-[3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-2-hydroxypropoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)-2-hydroxypropoxy]benzoate Traditional Name: 4-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-hydroxy-propoxy]benzoic acid ethyl ester Formula: C17H21N3O6 MolecularWeight: 363.36514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OCC(CN2C(=C(C(=N2)C)[N+](=O)[O-])C)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OCC(CN2C(=C(C(=N2)C)[N+](=O)[O-])C)O

InChI

InChI=1S/C17H21N3O6/c1-4-25-17(22)13-5-7-15(8-6-13)26-10-14(21)9-19-12(3)16(20(23)24)11(2)18-19/h5-8,14,21H,4,9-10H2,1-3H3