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

Systemtic Name: 3-[(6-chloranyl-3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]benzoic acid Openeye Name: 3-[(6-chloro-3-oxo-1,4-benzoxazin-4-yl)methyl]benzoic acid CAS Name: 3-[(6-chloro-3-oxo-1,4-benzoxazin-4-yl)methyl]benzoic acid IUPAC Name: 3-[(6-chloro-3-oxo-1,4-benzoxazin-4-yl)methyl]benzoic acid Traditional Name: 3-[(6-chloro-3-keto-1,4-benzoxazin-4-yl)methyl]benzoic acid Formula: C16H12ClNO4 MolecularWeight: 317.72378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClNO4/c17-12-4-5-14-13(7-12)18(15(19)9-22-14)8-10-2-1-3-11(6-10)16(20)21/h1-7H,8-9H2,(H,20,21)