(4-methoxy-3-nitro-phenyl)methyl 4-[(3,5-dimethylpyrazol-1-yl)methylamino]-1,2,5-oxadiazole-3-carboxylate

Systemtic Name: (4-methoxy-3-nitro-phenyl)methyl 4-[(3,5-dimethylpyrazol-1-yl)methylamino]-1,2,5-oxadiazole-3-carboxylate Openeye Name: (4-methoxy-3-nitro-phenyl)methyl 4-[(3,5-dimethylpyrazol-1-yl)methylamino]-1,2,5-oxadiazole-3-carboxylate CAS Name: 4-[(3,5-dimethyl-1-pyrazolyl)methylamino]-1,2,5-oxadiazole-3-carboxylic acid (4-methoxy-3-nitrophenyl)methyl ester IUPAC Name: (4-methoxy-3-nitrophenyl)methyl 4-[(3,5-dimethylpyrazol-1-yl)methylamino]-1,2,5-oxadiazole-3-carboxylate Traditional Name: 4-[(3,5-dimethylpyrazol-1-yl)methylamino]furazan-3-carboxylic acid (4-methoxy-3-nitro-benzyl) ester Formula: C17H18N6O6 MolecularWeight: 402.36142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CNC2=NON=C2C(=O)OCC3=CC(=C(C=C3)OC)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1CNC2=NON=C2C(=O)OCC3=CC(=C(C=C3)OC)[N+](=O)[O-])C

InChI

InChI=1S/C17H18N6O6/c1-10-6-11(2)22(19-10)9-18-16-15(20-29-21-16)17(24)28-8-12-4-5-14(27-3)13(7-12)23(25)26/h4-7H,8-9H2,1-3H3,(H,18,21)