(1-phenylpyrazol-4-yl)methyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: (1-phenylpyrazol-4-yl)methyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: (1-phenylpyrazol-4-yl)methyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid (1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (1-phenylpyrazol-4-yl)methyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid (1-phenylpyrazol-4-yl)methyl ester Formula: C19H15N3O6 MolecularWeight: 381.3389

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])C(=O)OCC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])C(=O)OCC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C19H15N3O6/c23-19(15-8-17-18(27-7-6-26-17)9-16(15)22(24)25)28-12-13-10-20-21(11-13)14-4-2-1-3-5-14/h1-5,8-11H,6-7,12H2