[2-[2-(4-bromophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl] 4-[(2-methylphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: [2-[2-(4-bromophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl] 4-[(2-methylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: [2-[2-(4-bromobenzoyl)hydrazino]-2-oxo-ethyl] 4-(2-methylanilino)-4-oxo-butanoate CAS Name: 4-(2-methylanilino)-4-oxobutanoic acid [2-[[(4-bromophenyl)-oxomethyl]hydrazo]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 4-(2-methylanilino)-4-oxobutanoate Traditional Name: 4-keto-4-(o-toluidino)butyric acid [2-[N'-(4-bromobenzoyl)hydrazino]-2-keto-ethyl] ester Formula: C20H20BrN3O5 MolecularWeight: 462.2939

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CCC(=O)OCC(=O)NNC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CCC(=O)OCC(=O)NNC(=O)C2=CC=C(C=C2)Br

InChI

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