2-(6-cyclopropyl-3-nitro-2-oxidanylidene-pyridin-1-ium-1-ylidene)-3,3-dimethyl-butanoic acid

Systemtic Name: 2-(6-cyclopropyl-3-nitro-2-oxidanylidene-pyridin-1-ium-1-ylidene)-3,3-dimethyl-butanoic acid Openeye Name: 2-(6-cyclopropyl-3-nitro-2-oxo-pyridin-1-ium-1-ylidene)-3,3-dimethyl-butanoic acid CAS Name: 2-(6-cyclopropyl-3-nitro-2-oxo-1-pyridin-1-iumylidene)-3,3-dimethylbutanoic acid IUPAC Name: 2-(6-cyclopropyl-3-nitro-2-oxopyridin-1-ium-1-ylidene)-3,3-dimethylbutanoic acid Traditional Name: 2-(6-cyclopropyl-2-keto-3-nitro-pyridin-1-ium-1-ylidene)-3,3-dimethyl-butyric acid Formula: C14H17N2O5+ MolecularWeight: 293.29518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=[N+]1C(=CC=C(C1=O)[N+](=O)[O-])C2CC2)C(=O)O

Isomeric SMILES

CC(C)(C)C(=[N+]1C(=CC=C(C1=O)[N+](=O)[O-])C2CC2)C(=O)O

InChI

InChI=1S/C14H16N2O5/c1-14(2,3)11(13(18)19)15-9(8-4-5-8)6-7-10(12(15)17)16(20)21/h6-8H,4-5H2,1-3H3/p+1