6-methyl-1-oxidanidyl-2,1-benzoxazol-1-ium-3,7-dione

Systemtic Name: 6-methyl-1-oxidanidyl-2,1-benzoxazol-1-ium-3,7-dione Openeye Name: 6-methyl-1-oxido-2,1-benzoxazol-1-ium-3,7-dione CAS Name: 6-methyl-1-oxido-2,1-benzoxazol-1-ium-3,7-dione IUPAC Name: 6-methyl-1-oxido-2,1-benzoxazol-1-ium-3,7-dione Traditional Name: 6-methyl-1-oxido-anthranil-1-ium-3,7-quinone Formula: C8H5NO4 MolecularWeight: 179.1296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C2C(=[N+](OC2=O)[O-])C1=O

Isomeric SMILES

CC1=CC=C2C(=[N+](OC2=O)[O-])C1=O

InChI

InChI=1S/C8H5NO4/c1-4-2-3-5-6(7(4)10)9(12)13-8(5)11/h2-3H,1H3