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

Systemtic Name: phenacyl (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: phenacyl (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 phenacyl ester IUPAC Name: phenacyl (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 phenacyl ester Formula: C18H13NO7 MolecularWeight: 355.29832

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=CC(=O)OCC(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H13NO7/c20-15(12-4-2-1-3-5-12)10-24-18(21)7-6-13-8-16-17(26-11-25-16)9-14(13)19(22)23/h1-9H,10-11H2/b7-6+