3-[2,6-bis(bromanyl)-4-oxidanyl-phenyl]-2-(2-chloranylethanoylamino)propanoic acid

Systemtic Name: 3-[2,6-bis(bromanyl)-4-oxidanyl-phenyl]-2-(2-chloranylethanoylamino)propanoic acid Openeye Name: 2-[(2-chloroacetyl)amino]-3-(2,6-dibromo-4-hydroxy-phenyl)propanoic acid CAS Name: 2-[(2-chloro-1-oxoethyl)amino]-3-(2,6-dibromo-4-hydroxyphenyl)propanoic acid IUPAC Name: 2-[(2-chloroacetyl)amino]-3-(2,6-dibromo-4-hydroxyphenyl)propanoic acid Traditional Name: 2-[(2-chloroacetyl)amino]-3-(2,6-dibromo-4-hydroxy-phenyl)propionic acid Formula: C11H10Br2ClNO4 MolecularWeight: 415.4624

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1Br)CC(C(=O)O)NC(=O)CCl)Br)O

Isomeric SMILES

C1=C(C=C(C(=C1Br)CC(C(=O)O)NC(=O)CCl)Br)O

InChI

InChI=1S/C11H10Br2ClNO4/c12-7-1-5(16)2-8(13)6(7)3-9(11(18)19)15-10(17)4-14/h1-2,9,16H,3-4H2,(H,15,17)(H,18,19)