6-ethyl-8-nitro-7-oxidanyl-2-oxidanylidene-chromene-3-carboxylic acid

Systemtic Name: 6-ethyl-8-nitro-7-oxidanyl-2-oxidanylidene-chromene-3-carboxylic acid Openeye Name: 6-ethyl-7-hydroxy-8-nitro-2-oxo-chromene-3-carboxylic acid CAS Name: 6-ethyl-7-hydroxy-8-nitro-2-oxo-1-benzopyran-3-carboxylic acid IUPAC Name: 6-ethyl-7-hydroxy-8-nitro-2-oxochromene-3-carboxylic acid Traditional Name: 6-ethyl-7-hydroxy-2-keto-8-nitro-chromene-3-carboxylic acid Formula: C12H9NO7 MolecularWeight: 279.20236

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C=C(C(=O)O2)C(=O)O)[N+](=O)[O-])O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C=C(C(=O)O2)C(=O)O)[N+](=O)[O-])O

InChI

InChI=1S/C12H9NO7/c1-2-5-3-6-4-7(11(15)16)12(17)20-10(6)8(9(5)14)13(18)19/h3-4,14H,2H2,1H3,(H,15,16)