3-[(2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]furan-2-carboxylic acid

Systemtic Name: 3-[(2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]furan-2-carboxylic acid Openeye Name: 3-[(2-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]furan-2-carboxylic acid CAS Name: 3-[(2-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-2-furancarboxylic acid IUPAC Name: 3-[(2-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]furan-2-carboxylic acid Traditional Name: 3-[(3-keto-2-methyl-1,4-benzoxazin-4-yl)methyl]-2-furoic acid Formula: C15H13NO5 MolecularWeight: 287.26742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=CC=CC=C2O1)CC3=C(OC=C3)C(=O)O

Isomeric SMILES

CC1C(=O)N(C2=CC=CC=C2O1)CC3=C(OC=C3)C(=O)O

InChI

InChI=1S/C15H13NO5/c1-9-14(17)16(11-4-2-3-5-12(11)21-9)8-10-6-7-20-13(10)15(18)19/h2-7,9H,8H2,1H3,(H,18,19)