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

Systemtic Name: (6-chloranylpyridin-3-yl)methyl (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: (6-chloro-3-pyridyl)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 (6-chloro-3-pyridinyl)methyl ester IUPAC Name: (6-chloropyridin-3-yl)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 (6-chloro-3-pyridyl)methyl ester Formula: C16H11ClN2O6 MolecularWeight: 362.72134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=C/C(=O)OCC3=CN=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H11ClN2O6/c17-15-3-1-10(7-18-15)8-23-16(20)4-2-11-5-13-14(25-9-24-13)6-12(11)19(21)22/h1-7H,8-9H2/b4-2+