2-[(2E)-5-methyl-2-(3-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1,3-dihydroimidazol-4-yl]ethanoic acid

Systemtic Name: 2-[(2E)-5-methyl-2-(3-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1,3-dihydroimidazol-4-yl]ethanoic acid Openeye Name: 2-[(2E)-5-methyl-2-(3-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)-1,3-dihydroimidazol-4-yl]acetic acid CAS Name: 2-[(2E)-5-methyl-2-(3-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)-1,3-dihydroimidazol-4-yl]acetic acid IUPAC Name: 2-[(2E)-5-methyl-2-(3-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)-1,3-dihydroimidazol-4-yl]acetic acid Traditional Name: 2-[(2E)-2-(4-keto-3-nitro-cyclohexa-2,5-dien-1-ylidene)-5-methyl-4-imidazolin-4-yl]acetic acid Formula: C12H11N3O5 MolecularWeight: 277.23284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C2C=CC(=O)C(=C2)[N+](=O)[O-])N1)CC(=O)O

Isomeric SMILES

CC1=C(N/C(=C/2\C=CC(=O)C(=C2)[N+](=O)[O-])/N1)CC(=O)O

InChI

InChI=1S/C12H11N3O5/c1-6-8(5-11(17)18)14-12(13-6)7-2-3-10(16)9(4-7)15(19)20/h2-4,13-14H,5H2,1H3,(H,17,18)/b12-7+