ethyl 6-ethyl-8-nitro-7-oxidanyl-2-oxidanylidene-chromene-3-carboxylate

Systemtic Name: ethyl 6-ethyl-8-nitro-7-oxidanyl-2-oxidanylidene-chromene-3-carboxylate Openeye Name: ethyl 6-ethyl-7-hydroxy-8-nitro-2-oxo-chromene-3-carboxylate CAS Name: 6-ethyl-7-hydroxy-8-nitro-2-oxo-1-benzopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-ethyl-7-hydroxy-8-nitro-2-oxochromene-3-carboxylate Traditional Name: 6-ethyl-7-hydroxy-2-keto-8-nitro-chromene-3-carboxylic acid ethyl ester Formula: C14H13NO7 MolecularWeight: 307.25552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13NO7/c1-3-7-5-8-6-9(13(17)21-4-2)14(18)22-12(8)10(11(7)16)15(19)20/h5-6,16H,3-4H2,1-2H3