3-(3-ethyl-4-methyl-2-oxidanylidene-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-9-yl)benzoic acid

Systemtic Name: 3-(3-ethyl-4-methyl-2-oxidanylidene-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-9-yl)benzoic acid Openeye Name: 3-(3-ethyl-4-methyl-2-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-9-yl)benzoic acid CAS Name: 3-(3-ethyl-4-methyl-2-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-9-yl)benzoic acid IUPAC Name: 3-(3-ethyl-4-methyl-2-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-9-yl)benzoic acid Traditional Name: 3-(3-ethyl-2-keto-4-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-9-yl)benzoic acid Formula: C21H19NO5 MolecularWeight: 365.37926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C3=C(C=C2)OCN(C3)C4=CC=CC(=C4)C(=O)O)OC1=O)C

Isomeric SMILES

CCC1=C(C2=C(C3=C(C=C2)OCN(C3)C4=CC=CC(=C4)C(=O)O)OC1=O)C

InChI

InChI=1S/C21H19NO5/c1-3-15-12(2)16-7-8-18-17(19(16)27-21(15)25)10-22(11-26-18)14-6-4-5-13(9-14)20(23)24/h4-9H,3,10-11H2,1-2H3,(H,23,24)