(6-nitro-4H-1,3-benzodioxin-8-yl)methyl (E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-(1,3,5-trimethyl-4-pyrazolyl)-2-propenoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1,3,5-trimethylpyrazol-4-yl)acrylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C18H19N3O6 MolecularWeight: 373.35996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C=CC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CC1=C(C(=NN1C)C)/C=C/C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C18H19N3O6/c1-11-16(12(2)20(3)19-11)4-5-17(22)26-9-14-7-15(21(23)24)6-13-8-25-10-27-18(13)14/h4-7H,8-10H2,1-3H3/b5-4+