6-nitro-3-(2-oxidanylidenehexyl)chromen-2-one

Systemtic Name: 6-nitro-3-(2-oxidanylidenehexyl)chromen-2-one Openeye Name: 6-nitro-3-(2-oxohexyl)chromen-2-one CAS Name: 6-nitro-3-(2-oxohexyl)-1-benzopyran-2-one IUPAC Name: 6-nitro-3-(2-oxohexyl)chromen-2-one Traditional Name: 3-(2-ketohexyl)-6-nitro-coumarin Formula: C15H15NO5 MolecularWeight: 289.2833

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)CC1=CC2=C(C=CC(=C2)[N+](=O)[O-])OC1=O

Isomeric SMILES

CCCCC(=O)CC1=CC2=C(C=CC(=C2)[N+](=O)[O-])OC1=O

InChI

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