(E)-4-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-4-keto-but-2-enoic acid Formula: C12H10BrNO5 MolecularWeight: 328.1155

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)NC(=O)C=CC(=O)O

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C12H10BrNO5/c13-7-5-9-10(19-4-3-18-9)6-8(7)14-11(15)1-2-12(16)17/h1-2,5-6H,3-4H2,(H,14,15)(H,16,17)/b2-1+