4-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]carbonyl-2,3-dihydro-1,4-benzoxazine-6-carboxylic acid

Systemtic Name: 4-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]carbonyl-2,3-dihydro-1,4-benzoxazine-6-carboxylic acid Openeye Name: 4-(3,5-dichloro-4-hydroxy-benzoyl)-2,3-dihydro-1,4-benzoxazine-6-carboxylic acid CAS Name: 4-[(3,5-dichloro-4-hydroxyphenyl)-oxomethyl]-2,3-dihydro-1,4-benzoxazine-6-carboxylic acid IUPAC Name: 4-(3,5-dichloro-4-hydroxybenzoyl)-2,3-dihydro-1,4-benzoxazine-6-carboxylic acid Traditional Name: 4-(3,5-dichloro-4-hydroxy-benzoyl)-2,3-dihydro-1,4-benzoxazine-6-carboxylic acid Formula: C16H11Cl2NO5 MolecularWeight: 368.16824

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(N1C(=O)C3=CC(=C(C(=C3)Cl)O)Cl)C=C(C=C2)C(=O)O

Isomeric SMILES

C1COC2=C(N1C(=O)C3=CC(=C(C(=C3)Cl)O)Cl)C=C(C=C2)C(=O)O

InChI

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