2-[(2E)-4,5-dimethyl-2-(5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-3-oxidanyl-imidazol-1-yl]ethanoic acid

Systemtic Name: 2-[(2E)-4,5-dimethyl-2-(5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-3-oxidanyl-imidazol-1-yl]ethanoic acid Openeye Name: 2-[(2E)-3-hydroxy-4,5-dimethyl-2-(5-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)imidazol-1-yl]acetic acid CAS Name: 2-[(2E)-3-hydroxy-4,5-dimethyl-2-(5-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)-1-imidazolyl]acetic acid IUPAC Name: 2-[(2E)-3-hydroxy-4,5-dimethyl-2-(5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)imidazol-1-yl]acetic acid Traditional Name: 2-[(2E)-3-hydroxy-2-(6-keto-5-nitro-cyclohexa-2,4-dien-1-ylidene)-4,5-dimethyl-4-imidazolin-1-yl]acetic acid Formula: C13H13N3O6 MolecularWeight: 307.25882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C2C=CC=C(C2=O)[N+](=O)[O-])N1CC(=O)O)O)C

Isomeric SMILES

CC1=C(N(/C(=C/2\C=CC=C(C2=O)[N+](=O)[O-])/N1CC(=O)O)O)C

InChI

InChI=1S/C13H13N3O6/c1-7-8(2)15(20)13(14(7)6-11(17)18)9-4-3-5-10(12(9)19)16(21)22/h3-5,20H,6H2,1-2H3,(H,17,18)/b13-9+