5-methyl-4-nitro-2-oxidanyl-isoindole-1,3-dione

Systemtic Name: 5-methyl-4-nitro-2-oxidanyl-isoindole-1,3-dione Openeye Name: 2-hydroxy-5-methyl-4-nitro-isoindoline-1,3-dione CAS Name: 2-hydroxy-5-methyl-4-nitroisoindole-1,3-dione IUPAC Name: 2-hydroxy-5-methyl-4-nitroisoindole-1,3-dione Traditional Name: 2-hydroxy-5-methyl-4-nitro-isoindoline-1,3-quinone Formula: C9H6N2O5 MolecularWeight: 222.15434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=O)N(C2=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=O)N(C2=O)O)[N+](=O)[O-]

InChI

InChI=1S/C9H6N2O5/c1-4-2-3-5-6(7(4)11(15)16)9(13)10(14)8(5)12/h2-3,14H,1H3