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

Systemtic Name: 1-[(3S,4R)-6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]-6-oxidanylidene-pyridine-3-carboxylic acid Openeye Name: 1-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]-6-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]-6-oxo-3-pyridinecarboxylic acid IUPAC Name: 1-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-6-oxopyridine-3-carboxylic acid Traditional Name: 1-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]-6-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=C(C=CC3=O)C(=O)O)O)C

Isomeric SMILES

CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)C#N)N3C=C(C=CC3=O)C(=O)O)O)C

InChI

InChI=1S/C18H16N2O5/c1-18(2)16(22)15(12-7-10(8-19)3-5-13(12)25-18)20-9-11(17(23)24)4-6-14(20)21/h3-7,9,15-16,22H,1-2H3,(H,23,24)/t15-,16+/m1/s1