[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-[2-(phenylcarbonyl)hydrazinyl]butanoate

Systemtic Name: [2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-[2-(phenylcarbonyl)hydrazinyl]butanoate Openeye Name: [2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl] 4-(2-benzoylhydrazino)-4-oxo-butanoate CAS Name: 4-(benzoylhydrazo)-4-oxobutanoic acid [2-(4-bromo-3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-methylanilino)-2-oxoethyl] 4-(2-benzoylhydrazinyl)-4-oxobutanoate Traditional Name: 4-(N'-benzoylhydrazino)-4-keto-butyric acid [2-(4-bromo-3-methyl-anilino)-2-keto-ethyl] ester Formula: C20H20BrN3O5 MolecularWeight: 462.2939

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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