4-ethyl-7-nitro-2-oxidanylidene-chromene-3-carboxylic acid

Systemtic Name: 4-ethyl-7-nitro-2-oxidanylidene-chromene-3-carboxylic acid Openeye Name: 4-ethyl-7-nitro-2-oxo-chromene-3-carboxylic acid CAS Name: 4-ethyl-7-nitro-2-oxo-1-benzopyran-3-carboxylic acid IUPAC Name: 4-ethyl-7-nitro-2-oxochromene-3-carboxylic acid Traditional Name: 4-ethyl-2-keto-7-nitro-chromene-3-carboxylic acid Formula: C12H9NO6 MolecularWeight: 263.20296

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)OC2=C1C=CC(=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCC1=C(C(=O)OC2=C1C=CC(=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H9NO6/c1-2-7-8-4-3-6(13(17)18)5-9(8)19-12(16)10(7)11(14)15/h3-5H,2H2,1H3,(H,14,15)