3-[(6-chloranyl-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]benzoic acid

Systemtic Name: 3-[(6-chloranyl-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]benzoic acid Openeye Name: 3-[(6-chloro-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzoic acid CAS Name: 3-[(6-chloro-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzoic acid IUPAC Name: 3-[(6-chloro-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzoic acid Traditional Name: 3-[(6-chloro-3-keto-2,2-dimethyl-1,4-benzoxazin-4-yl)methyl]benzoic acid Formula: C18H16ClNO4 MolecularWeight: 345.77694

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C2=C(O1)C=CC(=C2)Cl)CC3=CC=CC(=C3)C(=O)O)C

Isomeric SMILES

CC1(C(=O)N(C2=C(O1)C=CC(=C2)Cl)CC3=CC=CC(=C3)C(=O)O)C

InChI

InChI=1S/C18H16ClNO4/c1-18(2)17(23)20(14-9-13(19)6-7-15(14)24-18)10-11-4-3-5-12(8-11)16(21)22/h3-9H,10H2,1-2H3,(H,21,22)