4-methyl-3,6,8-trinitro-7-oxidanyl-chromen-2-one

Systemtic Name: 4-methyl-3,6,8-trinitro-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-4-methyl-3,6,8-trinitro-chromen-2-one CAS Name: 7-hydroxy-4-methyl-3,6,8-trinitro-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-methyl-3,6,8-trinitrochromen-2-one Traditional Name: 7-hydroxy-4-methyl-3,6,8-trinitro-coumarin Formula: C10H5N3O9 MolecularWeight: 311.1614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C(C(=C(C=C12)[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)OC2=C(C(=C(C=C12)[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H5N3O9/c1-3-4-2-5(11(16)17)8(14)7(13(20)21)9(4)22-10(15)6(3)12(18)19/h2,14H,1H3