(E)-4-[2-[2-(4-bromanyl-2-methyl-phenoxy)ethanoyl]hydrazinyl]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[2-[2-(4-bromanyl-2-methyl-phenoxy)ethanoyl]hydrazinyl]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[2-[2-(4-bromo-2-methyl-phenoxy)acetyl]hydrazino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[[2-(4-bromo-2-methylphenoxy)-1-oxoethyl]hydrazo]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[2-[2-(4-bromo-2-methylphenoxy)acetyl]hydrazinyl]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[N'-[2-(4-bromo-2-methyl-phenoxy)acetyl]hydrazino]-4-keto-but-2-enoic acid Formula: C13H13BrN2O5 MolecularWeight: 357.15672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)OCC(=O)NNC(=O)C=CC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)Br)OCC(=O)NNC(=O)/C=C/C(=O)O

InChI

InChI=1S/C13H13BrN2O5/c1-8-6-9(14)2-3-10(8)21-7-12(18)16-15-11(17)4-5-13(19)20/h2-6H,7H2,1H3,(H,15,17)(H,16,18)(H,19,20)/b5-4+