1-[(3S,4R)-6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]-2-oxidanylidene-pyridine-3-carboxylic acid

Systemtic Name: 1-[(3S,4R)-6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]-2-oxidanylidene-pyridine-3-carboxylic acid Openeye Name: 1-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]-2-oxo-pyridine-3-carboxylic acid CAS Name: 1-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-2-oxo-3-pyridinecarboxylic acid IUPAC Name: 1-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-oxopyridine-3-carboxylic acid Traditional Name: 1-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]-2-keto-nicotinic acid Formula: C18H16N2O5 MolecularWeight: 340.33004

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N3C=CC=C(C3=O)C(=O)O)O)C

Isomeric SMILES

CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)C#N)N3C=CC=C(C3=O)C(=O)O)O)C

InChI

InChI=1S/C18H16N2O5/c1-18(2)15(21)14(12-8-10(9-19)5-6-13(12)25-18)20-7-3-4-11(16(20)22)17(23)24/h3-8,14-15,21H,1-2H3,(H,23,24)/t14-,15+/m1/s1