hexyl 5-nitro-4-oxidanylidene-chromene-2-carboxylate

Systemtic Name: hexyl 5-nitro-4-oxidanylidene-chromene-2-carboxylate Openeye Name: hexyl 5-nitro-4-oxo-chromene-2-carboxylate CAS Name: 5-nitro-4-oxo-1-benzopyran-2-carboxylic acid hexyl ester IUPAC Name: hexyl 5-nitro-4-oxochromene-2-carboxylate Traditional Name: 4-keto-5-nitro-chromene-2-carboxylic acid hexyl ester Formula: C16H17NO6 MolecularWeight: 319.30928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC(=O)C2=C(C=CC=C2O1)[N+](=O)[O-]

Isomeric SMILES

CCCCCCOC(=O)C1=CC(=O)C2=C(C=CC=C2O1)[N+](=O)[O-]

InChI

InChI=1S/C16H17NO6/c1-2-3-4-5-9-22-16(19)14-10-12(18)15-11(17(20)21)7-6-8-13(15)23-14/h6-8,10H,2-5,9H2,1H3