3-butanoyl-7-nitro-chromen-2-one

Systemtic Name: 3-butanoyl-7-nitro-chromen-2-one Openeye Name: 3-butanoyl-7-nitro-chromen-2-one CAS Name: 7-nitro-3-(1-oxobutyl)-1-benzopyran-2-one IUPAC Name: 3-butanoyl-7-nitrochromen-2-one Traditional Name: 3-butyryl-7-nitro-coumarin Formula: C13H11NO5 MolecularWeight: 261.23014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC2=C(C=C(C=C2)[N+](=O)[O-])OC1=O

Isomeric SMILES

CCCC(=O)C1=CC2=C(C=C(C=C2)[N+](=O)[O-])OC1=O

InChI

InChI=1S/C13H11NO5/c1-2-3-11(15)10-6-8-4-5-9(14(17)18)7-12(8)19-13(10)16/h4-7H,2-3H2,1H3