N-[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]-2-butyl-1,3-bis(oxidanylidene)isoindole-5-carboxamide

Systemtic Name: N-[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]-2-butyl-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: N-[2-(2-bromoanilino)-2-oxo-ethyl]-2-butyl-1,3-dioxo-isoindoline-5-carboxamide CAS Name: N-[2-(2-bromoanilino)-2-oxoethyl]-2-butyl-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: N-[2-(2-bromoanilino)-2-oxoethyl]-2-butyl-1,3-dioxoisoindole-5-carboxamide Traditional Name: N-[2-(2-bromoanilino)-2-keto-ethyl]-2-butyl-1,3-diketo-isoindoline-5-carboxamide Formula: C21H20BrN3O4 MolecularWeight: 458.3052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCC(=O)NC3=CC=CC=C3Br

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCC(=O)NC3=CC=CC=C3Br

InChI

InChI=1S/C21H20BrN3O4/c1-2-3-10-25-20(28)14-9-8-13(11-15(14)21(25)29)19(27)23-12-18(26)24-17-7-5-4-6-16(17)22/h4-9,11H,2-3,10,12H2,1H3,(H,23,27)(H,24,26)