4,4,7-trimethyl-8-nitro-6-oxidanyl-3H-chromen-2-one

Systemtic Name: 4,4,7-trimethyl-8-nitro-6-oxidanyl-3H-chromen-2-one Openeye Name: 6-hydroxy-4,4,7-trimethyl-8-nitro-chroman-2-one CAS Name: 6-hydroxy-4,4,7-trimethyl-8-nitro-3,4-dihydro-2H-1-benzopyran-2-one IUPAC Name: 6-hydroxy-4,4,7-trimethyl-8-nitro-3H-chromen-2-one Traditional Name: 6-hydroxy-4,4,7-trimethyl-8-nitro-chroman-2-one Formula: C12H13NO5 MolecularWeight: 251.23532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1[N+](=O)[O-])OC(=O)CC2(C)C)O

Isomeric SMILES

CC1=C(C=C2C(=C1[N+](=O)[O-])OC(=O)CC2(C)C)O

InChI

InChI=1S/C12H13NO5/c1-6-8(14)4-7-11(10(6)13(16)17)18-9(15)5-12(7,2)3/h4,14H,5H2,1-3H3