4-heptoxy-3-nitro-7-oxidanyl-chromen-2-one

Systemtic Name: 4-heptoxy-3-nitro-7-oxidanyl-chromen-2-one Openeye Name: 4-heptoxy-7-hydroxy-3-nitro-chromen-2-one CAS Name: 4-heptoxy-7-hydroxy-3-nitro-1-benzopyran-2-one IUPAC Name: 4-heptoxy-7-hydroxy-3-nitrochromen-2-one Traditional Name: 4-heptoxy-7-hydroxy-3-nitro-coumarin Formula: C16H19NO6 MolecularWeight: 321.32516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C(=O)OC2=C1C=CC(=C2)O)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCOC1=C(C(=O)OC2=C1C=CC(=C2)O)[N+](=O)[O-]

InChI

InChI=1S/C16H19NO6/c1-2-3-4-5-6-9-22-15-12-8-7-11(18)10-13(12)23-16(19)14(15)17(20)21/h7-8,10,18H,2-6,9H2,1H3