2-[[4-[(2,5-dimethylphenyl)methyl]-3-oxidanylidene-1,4-benzoxazin-6-yl]carbonyl]benzoic acid

Systemtic Name: 2-[[4-[(2,5-dimethylphenyl)methyl]-3-oxidanylidene-1,4-benzoxazin-6-yl]carbonyl]benzoic acid Openeye Name: 2-[4-[(2,5-dimethylphenyl)methyl]-3-oxo-1,4-benzoxazine-6-carbonyl]benzoic acid CAS Name: 2-[[4-[(2,5-dimethylphenyl)methyl]-3-oxo-1,4-benzoxazin-6-yl]-oxomethyl]benzoic acid IUPAC Name: 2-[4-[(2,5-dimethylphenyl)methyl]-3-oxo-1,4-benzoxazine-6-carbonyl]benzoic acid Traditional Name: 2-[4-(2,5-dimethylbenzyl)-3-keto-1,4-benzoxazine-6-carbonyl]benzoic acid Formula: C25H21NO5 MolecularWeight: 415.43794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2C(=O)COC3=C2C=C(C=C3)C(=O)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C(=O)COC3=C2C=C(C=C3)C(=O)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C25H21NO5/c1-15-7-8-16(2)18(11-15)13-26-21-12-17(9-10-22(21)31-14-23(26)27)24(28)19-5-3-4-6-20(19)25(29)30/h3-12H,13-14H2,1-2H3,(H,29,30)