4-[(7-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)carbonylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[(7-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)carbonylamino]-2-oxidanyl-benzoic acid Openeye Name: 4-[(7-bromo-3,4-dihydro-2H-1,5-benzodioxepine-8-carbonyl)amino]-2-hydroxy-benzoic acid CAS Name: 4-[[(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-oxomethyl]amino]-2-hydroxybenzoic acid IUPAC Name: 4-[(7-bromo-3,4-dihydro-2H-1,5-benzodioxepine-8-carbonyl)amino]-2-hydroxybenzoic acid Traditional Name: 4-[(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-carbonyl)amino]-2-hydroxy-benzoic acid Formula: C17H14BrNO6 MolecularWeight: 408.20016

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C(=C2)C(=O)NC3=CC(=C(C=C3)C(=O)O)O)Br)OC1

Isomeric SMILES

C1COC2=C(C=C(C(=C2)C(=O)NC3=CC(=C(C=C3)C(=O)O)O)Br)OC1

InChI

InChI=1S/C17H14BrNO6/c18-12-8-15-14(24-4-1-5-25-15)7-11(12)16(21)19-9-2-3-10(17(22)23)13(20)6-9/h2-3,6-8,20H,1,4-5H2,(H,19,21)(H,22,23)