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

Systemtic Name: 6-nitro-3-(2-oxidanylidenepropyl)chromen-2-one Openeye Name: 3-acetonyl-6-nitro-chromen-2-one CAS Name: 6-nitro-3-(2-oxopropyl)-1-benzopyran-2-one IUPAC Name: 6-nitro-3-(2-oxopropyl)chromen-2-one Traditional Name: 3-acetonyl-6-nitro-coumarin Formula: C12H9NO5 MolecularWeight: 247.20356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9NO5/c1-7(14)4-9-5-8-6-10(13(16)17)2-3-11(8)18-12(9)15/h2-3,5-6H,4H2,1H3