[4-bromanyl-2-[(E)-[[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethanoyl]hydrazinylidene]methyl]phenyl] benzoate

Systemtic Name: [4-bromanyl-2-[(E)-[[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethanoyl]hydrazinylidene]methyl]phenyl] benzoate Openeye Name: [4-bromo-2-[(E)-[[2-(2-methylanilino)-2-oxo-acetyl]hydrazono]methyl]phenyl] benzoate CAS Name: benzoic acid [4-bromo-2-[(E)-[[2-(2-methylanilino)-1,2-dioxoethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-bromo-2-[(E)-[[2-(2-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] benzoate Traditional Name: benzoic acid [4-bromo-2-[(E)-[[2-keto-2-(o-toluidino)acetyl]hydrazono]methyl]phenyl] ester Formula: C23H18BrN3O4 MolecularWeight: 480.31072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(=O)NN=CC2=C(C=CC(=C2)Br)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C(=O)N/N=C/C2=C(C=CC(=C2)Br)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H18BrN3O4/c1-15-7-5-6-10-19(15)26-21(28)22(29)27-25-14-17-13-18(24)11-12-20(17)31-23(30)16-8-3-2-4-9-16/h2-14H,1H3,(H,26,28)(H,27,29)/b25-14+