(E)-3-(7-nitro-1,3-benzodioxol-5-yl)prop-2-enoic acid

Systemtic Name: (E)-3-(7-nitro-1,3-benzodioxol-5-yl)prop-2-enoic acid Openeye Name: (E)-3-(7-nitro-1,3-benzodioxol-5-yl)prop-2-enoic acid CAS Name: (E)-3-(7-nitro-1,3-benzodioxol-5-yl)-2-propenoic acid IUPAC Name: (E)-3-(7-nitro-1,3-benzodioxol-5-yl)prop-2-enoic acid Traditional Name: (E)-3-(7-nitro-1,3-benzodioxol-5-yl)acrylic acid Formula: C10H7NO6 MolecularWeight: 237.16568

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=CC(=CC(=C2O1)[N+](=O)[O-])C=CC(=O)O

Isomeric SMILES

C1OC2=CC(=CC(=C2O1)[N+](=O)[O-])/C=C/C(=O)O

InChI

InChI=1S/C10H7NO6/c12-9(13)2-1-6-3-7(11(14)15)10-8(4-6)16-5-17-10/h1-4H,5H2,(H,12,13)/b2-1+