7,8-dimethyl-6-nitro-5-oxidanidyl-1H-benzo[g]pteridin-5-ium-2,4-dione

Systemtic Name: 7,8-dimethyl-6-nitro-5-oxidanidyl-1H-benzo[g]pteridin-5-ium-2,4-dione Openeye Name: 7,8-dimethyl-6-nitro-5-oxido-1H-benzo[g]pteridin-5-ium-2,4-dione CAS Name: 7,8-dimethyl-6-nitro-5-oxido-1H-benzo[g]pteridin-5-ium-2,4-dione IUPAC Name: 7,8-dimethyl-6-nitro-5-oxido-1H-benzo[g]pteridin-5-ium-2,4-dione Traditional Name: 7,8-dimethyl-6-nitro-5-oxido-1H-benzo[g]pteridin-5-ium-2,4-quinone Formula: C12H9N5O5 MolecularWeight: 303.23036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1C)[N+](=O)[O-])[N+](=C3C(=N2)NC(=O)NC3=O)[O-]

Isomeric SMILES

CC1=CC2=C(C(=C1C)[N+](=O)[O-])[N+](=C3C(=N2)NC(=O)NC3=O)[O-]

InChI

InChI=1S/C12H9N5O5/c1-4-3-6-8(7(5(4)2)17(21)22)16(20)9-10(13-6)14-12(19)15-11(9)18/h3H,1-2H3,(H2,13,14,15,18,19)