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

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

CCCC1=CC(=O)OC2=C1C=CC3=C2CN(CO3)C4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C=CC3=C2CN(CO3)C4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C21H19NO5/c1-2-4-13-10-19(23)27-20-16(13)7-8-18-17(20)11-22(12-26-18)15-6-3-5-14(9-15)21(24)25/h3,5-10H,2,4,11-12H2,1H3,(H,24,25)