4-hexanoyl-3-nitro-chromen-2-one

Systemtic Name: 4-hexanoyl-3-nitro-chromen-2-one Openeye Name: 4-hexanoyl-3-nitro-chromen-2-one CAS Name: 3-nitro-4-(1-oxohexyl)-1-benzopyran-2-one IUPAC Name: 4-hexanoyl-3-nitrochromen-2-one Traditional Name: 4-caproyl-3-nitro-coumarin Formula: C15H15NO5 MolecularWeight: 289.2833

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1=C(C(=O)OC2=CC=CC=C21)[N+](=O)[O-]

Isomeric SMILES

CCCCCC(=O)C1=C(C(=O)OC2=CC=CC=C21)[N+](=O)[O-]

InChI

InChI=1S/C15H15NO5/c1-2-3-4-8-11(17)13-10-7-5-6-9-12(10)21-15(18)14(13)16(19)20/h5-7,9H,2-4,8H2,1H3