2-ethyl-2-methyl-6-nitro-3H-chromen-4-one

Systemtic Name: 2-ethyl-2-methyl-6-nitro-3H-chromen-4-one Openeye Name: 2-ethyl-2-methyl-6-nitro-chroman-4-one CAS Name: 2-ethyl-2-methyl-6-nitro-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: 2-ethyl-2-methyl-6-nitro-3H-chromen-4-one Traditional Name: 2-ethyl-2-methyl-6-nitro-chroman-4-one Formula: C12H13NO4 MolecularWeight: 235.23592

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(=O)C2=C(O1)C=CC(=C2)[N+](=O)[O-])C

Isomeric SMILES

CCC1(CC(=O)C2=C(O1)C=CC(=C2)[N+](=O)[O-])C

InChI

InChI=1S/C12H13NO4/c1-3-12(2)7-10(14)9-6-8(13(15)16)4-5-11(9)17-12/h4-6H,3,7H2,1-2H3