(E)-3-(6-nitro-2-oxidanylidene-1,3-benzodioxol-5-yl)prop-2-enoic acid

Systemtic Name: (E)-3-(6-nitro-2-oxidanylidene-1,3-benzodioxol-5-yl)prop-2-enoic acid Openeye Name: (E)-3-(6-nitro-2-oxo-1,3-benzodioxol-5-yl)prop-2-enoic acid CAS Name: (E)-3-(6-nitro-2-oxo-1,3-benzodioxol-5-yl)-2-propenoic acid IUPAC Name: (E)-3-(6-nitro-2-oxo-1,3-benzodioxol-5-yl)prop-2-enoic acid Traditional Name: (E)-3-(2-keto-6-nitro-1,3-benzodioxol-5-yl)acrylic acid Formula: C10H5NO7 MolecularWeight: 251.1492

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC2=C1OC(=O)O2)[N+](=O)[O-])C=CC(=O)O

Isomeric SMILES

C1=C(C(=CC2=C1OC(=O)O2)[N+](=O)[O-])/C=C/C(=O)O

InChI

InChI=1S/C10H5NO7/c12-9(13)2-1-5-3-7-8(18-10(14)17-7)4-6(5)11(15)16/h1-4H,(H,12,13)/b2-1+