3-[(6-methanoyl-3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]benzoic acid

Systemtic Name: 3-[(6-methanoyl-3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]benzoic acid Openeye Name: 3-[(6-formyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzoic acid CAS Name: 3-[(6-formyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzoic acid IUPAC Name: 3-[(6-formyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzoic acid Traditional Name: 3-[(6-formyl-3-keto-1,4-benzoxazin-4-yl)methyl]benzoic acid Formula: C17H13NO5 MolecularWeight: 311.28882

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(O1)C=CC(=C2)C=O)CC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=CC(=C2)C=O)CC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C17H13NO5/c19-9-12-4-5-15-14(7-12)18(16(20)10-23-15)8-11-2-1-3-13(6-11)17(21)22/h1-7,9H,8,10H2,(H,21,22)