(4-bromanyl-2-chloranyl-6-methyl-phenyl) 2-butyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: (4-bromanyl-2-chloranyl-6-methyl-phenyl) 2-butyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: (4-bromo-2-chloro-6-methyl-phenyl) 2-butyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-butyl-1,3-dioxo-5-isoindolecarboxylic acid (4-bromo-2-chloro-6-methylphenyl) ester IUPAC Name: (4-bromo-2-chloro-6-methylphenyl) 2-butyl-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-butyl-1,3-diketo-isoindoline-5-carboxylic acid (4-bromo-2-chloro-6-methyl-phenyl) ester Formula: C20H17BrClNO4 MolecularWeight: 450.71028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OC3=C(C=C(C=C3C)Br)Cl

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OC3=C(C=C(C=C3C)Br)Cl

InChI

InChI=1S/C20H17BrClNO4/c1-3-4-7-23-18(24)14-6-5-12(9-15(14)19(23)25)20(26)27-17-11(2)8-13(21)10-16(17)22/h5-6,8-10H,3-4,7H2,1-2H3