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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (E)-3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-enoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (E)-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-(5-chloro-1,3-dimethyl-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-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)acrylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C17H16ClN3O6 MolecularWeight: 393.77844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)Cl)C

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)Cl)C

InChI

InChI=1S/C17H16ClN3O6/c1-10-14(17(18)20(2)19-10)3-4-15(22)26-8-12-6-13(21(23)24)5-11-7-25-9-27-16(11)12/h3-6H,7-9H2,1-2H3/b4-3+