4-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]carbonyl-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid

Systemtic Name: 4-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]carbonyl-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid Openeye Name: 4-(3,5-dichloro-4-hydroxy-benzoyl)-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid CAS Name: 4-[(3,5-dichloro-4-hydroxyphenyl)-oxomethyl]-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid IUPAC Name: 4-(3,5-dichloro-4-hydroxybenzoyl)-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid Traditional Name: 4-(3,5-dichloro-4-hydroxy-benzoyl)-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid Formula: C16H11Cl2NO5 MolecularWeight: 368.16824

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=CC=C2N1C(=O)C3=CC(=C(C(=C3)Cl)O)Cl)C(=O)O

Isomeric SMILES

C1COC2=C(C=CC=C2N1C(=O)C3=CC(=C(C(=C3)Cl)O)Cl)C(=O)O

InChI

InChI=1S/C16H11Cl2NO5/c17-10-6-8(7-11(18)13(10)20)15(21)19-4-5-24-14-9(16(22)23)2-1-3-12(14)19/h1-3,6-7,20H,4-5H2,(H,22,23)