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

Systemtic Name: (E)-3-(6-azanyl-2-oxidanylidene-1,3-benzodioxol-5-yl)prop-2-enoic acid Openeye Name: (E)-3-(6-amino-2-oxo-1,3-benzodioxol-5-yl)prop-2-enoic acid CAS Name: (E)-3-(6-amino-2-oxo-1,3-benzodioxol-5-yl)-2-propenoic acid IUPAC Name: (E)-3-(6-amino-2-oxo-1,3-benzodioxol-5-yl)prop-2-enoic acid Traditional Name: (E)-3-(6-amino-2-keto-1,3-benzodioxol-5-yl)acrylic acid Formula: C10H7NO5 MolecularWeight: 221.16628

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC2=C1OC(=O)O2)N)C=CC(=O)O

Isomeric SMILES

C1=C(C(=CC2=C1OC(=O)O2)N)/C=C/C(=O)O

InChI

InChI=1S/C10H7NO5/c11-6-4-8-7(15-10(14)16-8)3-5(6)1-2-9(12)13/h1-4H,11H2,(H,12,13)/b2-1+