[2-oxidanylidene-2-[2-(phenylcarbonyl)hydrazinyl]ethyl] 4-[(4-bromanyl-2-methyl-phenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: [2-oxidanylidene-2-[2-(phenylcarbonyl)hydrazinyl]ethyl] 4-[(4-bromanyl-2-methyl-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: [2-(2-benzoylhydrazino)-2-oxo-ethyl] 4-(4-bromo-2-methyl-anilino)-4-oxo-butanoate CAS Name: 4-(4-bromo-2-methylanilino)-4-oxobutanoic acid [2-(benzoylhydrazo)-2-oxoethyl] ester IUPAC Name: [2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-(4-bromo-2-methylanilino)-4-oxobutanoate Traditional Name: 4-(4-bromo-2-methyl-anilino)-4-keto-butyric acid [2-(N'-benzoylhydrazino)-2-keto-ethyl] ester Formula: C20H20BrN3O5 MolecularWeight: 462.2939

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CCC(=O)OCC(=O)NNC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CCC(=O)OCC(=O)NNC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H20BrN3O5/c1-13-11-15(21)7-8-16(13)22-17(25)9-10-19(27)29-12-18(26)23-24-20(28)14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H,22,25)(H,23,26)(H,24,28)