(E)-3-(2,1,3-benzoxadiazol-4-yl)-2-nitro-prop-2-enoic acid

Systemtic Name: (E)-3-(2,1,3-benzoxadiazol-4-yl)-2-nitro-prop-2-enoic acid Openeye Name: (E)-3-(2,1,3-benzoxadiazol-4-yl)-2-nitro-prop-2-enoic acid CAS Name: (E)-3-(2,1,3-benzoxadiazol-4-yl)-2-nitro-2-propenoic acid IUPAC Name: (E)-3-(2,1,3-benzoxadiazol-4-yl)-2-nitroprop-2-enoic acid Traditional Name: (E)-3-benzofurazan-4-yl-2-nitro-acrylic acid Formula: C9H5N3O5 MolecularWeight: 235.1531

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NON=C2C(=C1)C=C(C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=NON=C2C(=C1)/C=C(\C(=O)O)/[N+](=O)[O-]

InChI

InChI=1S/C9H5N3O5/c13-9(14)7(12(15)16)4-5-2-1-3-6-8(5)11-17-10-6/h1-4H,(H,13,14)/b7-4+