[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-butanoate Openeye Name: [2-(4-bromoanilino)-2-oxo-ethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-butanoate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoic acid [2-(4-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromoanilino)-2-oxoethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-keto-butyric acid [2-(4-bromoanilino)-2-keto-ethyl] ester Formula: C20H18BrNO6 MolecularWeight: 448.26402

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)CCC(=O)OCC(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)CCC(=O)OCC(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H18BrNO6/c21-14-2-4-15(5-3-14)22-19(24)12-28-20(25)8-6-16(23)13-1-7-17-18(11-13)27-10-9-26-17/h1-5,7,11H,6,8-10,12H2,(H,22,24)