6-(3-cyano-5-fluoranyl-phenyl)-4,4-dimethyl-2-oxidanylidene-3,1-benzoxazine-1-carboxylic acid

Systemtic Name: 6-(3-cyano-5-fluoranyl-phenyl)-4,4-dimethyl-2-oxidanylidene-3,1-benzoxazine-1-carboxylic acid Openeye Name: 6-(3-cyano-5-fluoro-phenyl)-4,4-dimethyl-2-oxo-3,1-benzoxazine-1-carboxylic acid CAS Name: 6-(3-cyano-5-fluorophenyl)-4,4-dimethyl-2-oxo-3,1-benzoxazine-1-carboxylic acid IUPAC Name: 6-(3-cyano-5-fluorophenyl)-4,4-dimethyl-2-oxo-3,1-benzoxazine-1-carboxylic acid Traditional Name: 6-(3-cyano-5-fluoro-phenyl)-2-keto-4,4-dimethyl-3,1-benzoxazine-1-carboxylic acid Formula: C18H13FN2O4 MolecularWeight: 340.305223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13FN2O4/c1-18(2)14-8-11(12-5-10(9-20)6-13(19)7-12)3-4-15(14)21(16(22)23)17(24)25-18/h3-8H,1-2H3,(H,22,23)