N-aminocarbonyl-2,2-dimethyl-3-oxidanyl-4-(oxidanylamino)chromene-6-carbonitrilium

Systemtic Name: N-aminocarbonyl-2,2-dimethyl-3-oxidanyl-4-(oxidanylamino)chromene-6-carbonitrilium Openeye Name: N-carbamoyl-3-hydroxy-4-(hydroxyamino)-2,2-dimethyl-chromene-6-carbonitrilium CAS Name: N-carbamoyl-3-hydroxy-4-(hydroxyamino)-2,2-dimethyl-1-benzopyran-6-carbonitrilium IUPAC Name: N-carbamoyl-3-hydroxy-4-(hydroxyamino)-2,2-dimethylchromene-6-carbonitrilium Traditional Name: N-carbamoyl-3-hydroxy-4-(hydroxyamino)-2,2-dimethyl-chromene-6-carbonitrilium Formula: C13H14N3O4+ MolecularWeight: 276.26796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=C(C2=C(O1)C=CC(=C2)C#[N+]C(=O)N)NO)O)C

Isomeric SMILES

CC1(C(=C(C2=C(O1)C=CC(=C2)C#[N+]C(=O)N)NO)O)C

InChI

InChI=1S/C13H13N3O4/c1-13(2)11(17)10(16-19)8-5-7(6-15-12(14)18)3-4-9(8)20-13/h3-5,16,19H,1-2H3,(H2-,14,17,18)/p+1