8-[(E)-3-(5-nitro-2-oxidanyl-phenyl)-3-oxidanylidene-prop-1-enyl]-4H-1,3-benzodioxine-6-carboxylic acid

Systemtic Name: 8-[(E)-3-(5-nitro-2-oxidanyl-phenyl)-3-oxidanylidene-prop-1-enyl]-4H-1,3-benzodioxine-6-carboxylic acid Openeye Name: 8-[(E)-3-(2-hydroxy-5-nitro-phenyl)-3-oxo-prop-1-enyl]-4H-1,3-benzodioxine-6-carboxylic acid CAS Name: 8-[(E)-3-(2-hydroxy-5-nitrophenyl)-3-oxoprop-1-enyl]-4H-1,3-benzodioxin-6-carboxylic acid IUPAC Name: 8-[(E)-3-(2-hydroxy-5-nitrophenyl)-3-oxoprop-1-enyl]-4H-1,3-benzodioxine-6-carboxylic acid Traditional Name: 8-[(E)-3-(2-hydroxy-5-nitro-phenyl)-3-keto-prop-1-enyl]-4H-1,3-benzodioxin-6-carboxylic acid Formula: C18H13NO8 MolecularWeight: 371.29772

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)C=CC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])O)C(=O)O

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)/C=C/C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])O)C(=O)O

InChI

InChI=1S/C18H13NO8/c20-15(14-7-13(19(24)25)2-4-16(14)21)3-1-10-5-11(18(22)23)6-12-8-26-9-27-17(10)12/h1-7,21H,8-9H2,(H,22,23)/b3-1+