(4-pyrazol-1-ylphenyl)methyl (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)acrylic acid (4-pyrazol-1-ylbenzyl) ester Formula: C20H15N3O6 MolecularWeight: 393.3496

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=CC(=O)OCC3=CC=C(C=C3)N4C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=C/C(=O)OCC3=CC=C(C=C3)N4C=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C20H15N3O6/c24-20(27-12-14-2-5-16(6-3-14)22-9-1-8-21-22)7-4-15-10-18-19(29-13-28-18)11-17(15)23(25)26/h1-11H,12-13H2/b7-4+