7,8-dimethyl-4,6-dinitro-5-oxidanyl-1H-1-benzazepine-2,3-dione

Systemtic Name: 7,8-dimethyl-4,6-dinitro-5-oxidanyl-1H-1-benzazepine-2,3-dione Openeye Name: 5-hydroxy-7,8-dimethyl-4,6-dinitro-1H-1-benzazepine-2,3-dione CAS Name: 5-hydroxy-7,8-dimethyl-4,6-dinitro-1H-1-benzazepine-2,3-dione IUPAC Name: 5-hydroxy-7,8-dimethyl-4,6-dinitro-1H-1-benzazepine-2,3-dione Traditional Name: 5-hydroxy-7,8-dimethyl-4,6-dinitro-1H-1-benzazepine-2,3-quinone Formula: C12H9N3O7 MolecularWeight: 307.21576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1C)[N+](=O)[O-])C(=C(C(=O)C(=O)N2)[N+](=O)[O-])O

Isomeric SMILES

CC1=CC2=C(C(=C1C)[N+](=O)[O-])C(=C(C(=O)C(=O)N2)[N+](=O)[O-])O

InChI

InChI=1S/C12H9N3O7/c1-4-3-6-7(8(5(4)2)14(19)20)10(16)9(15(21)22)11(17)12(18)13-6/h3,16H,1-2H3,(H,13,17,18)