hexyl 7-nitro-4-oxidanylidene-chromene-2-carboxylate

Systemtic Name: hexyl 7-nitro-4-oxidanylidene-chromene-2-carboxylate Openeye Name: hexyl 7-nitro-4-oxo-chromene-2-carboxylate CAS Name: 7-nitro-4-oxo-1-benzopyran-2-carboxylic acid hexyl ester IUPAC Name: hexyl 7-nitro-4-oxochromene-2-carboxylate Traditional Name: 4-keto-7-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(O1)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCOC(=O)C1=CC(=O)C2=C(O1)C=C(C=C2)[N+](=O)[O-]

InChI

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