3-ethyl-4,8-dimethyl-6-nitro-7-oxidanyl-chromen-2-one

Systemtic Name: 3-ethyl-4,8-dimethyl-6-nitro-7-oxidanyl-chromen-2-one Openeye Name: 3-ethyl-7-hydroxy-4,8-dimethyl-6-nitro-chromen-2-one CAS Name: 3-ethyl-7-hydroxy-4,8-dimethyl-6-nitro-1-benzopyran-2-one IUPAC Name: 3-ethyl-7-hydroxy-4,8-dimethyl-6-nitrochromen-2-one Traditional Name: 3-ethyl-7-hydroxy-4,8-dimethyl-6-nitro-coumarin Formula: C13H13NO5 MolecularWeight: 263.24602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC(=C(C(=C2OC1=O)C)O)[N+](=O)[O-])C

Isomeric SMILES

CCC1=C(C2=CC(=C(C(=C2OC1=O)C)O)[N+](=O)[O-])C

InChI

InChI=1S/C13H13NO5/c1-4-8-6(2)9-5-10(14(17)18)11(15)7(3)12(9)19-13(8)16/h5,15H,4H2,1-3H3