methyl 4-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]carbonyl-2,3-dihydro-1,4-benzoxazine-5-carboxylate

Systemtic Name: methyl 4-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]carbonyl-2,3-dihydro-1,4-benzoxazine-5-carboxylate Openeye Name: methyl 4-(3,5-dichloro-4-hydroxy-benzoyl)-2,3-dihydro-1,4-benzoxazine-5-carboxylate CAS Name: 4-[(3,5-dichloro-4-hydroxyphenyl)-oxomethyl]-2,3-dihydro-1,4-benzoxazine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-(3,5-dichloro-4-hydroxybenzoyl)-2,3-dihydro-1,4-benzoxazine-5-carboxylate Traditional Name: 4-(3,5-dichloro-4-hydroxy-benzoyl)-2,3-dihydro-1,4-benzoxazine-5-carboxylic acid methyl ester Formula: C17H13Cl2NO5 MolecularWeight: 382.19482

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C(=CC=C1)OCCN2C(=O)C3=CC(=C(C(=C3)Cl)O)Cl

Isomeric SMILES

COC(=O)C1=C2C(=CC=C1)OCCN2C(=O)C3=CC(=C(C(=C3)Cl)O)Cl

InChI

InChI=1S/C17H13Cl2NO5/c1-24-17(23)10-3-2-4-13-14(10)20(5-6-25-13)16(22)9-7-11(18)15(21)12(19)8-9/h2-4,7-8,21H,5-6H2,1H3