N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxamide

Systemtic Name: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxamide Openeye Name: 2-allyl-N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-1,3-dioxo-isoindoline-5-carboxamide CAS Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1,3-dioxo-2-prop-2-enyl-5-isoindolecarboxamide IUPAC Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide Traditional Name: 2-allyl-N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-1,3-diketo-isoindoline-5-carboxamide Formula: C21H18BrN3O4 MolecularWeight: 456.28932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC=C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC=C

InChI

InChI=1S/C21H18BrN3O4/c1-3-8-25-20(28)15-6-4-13(10-16(15)21(25)29)19(27)23-11-18(26)24-17-7-5-14(22)9-12(17)2/h3-7,9-10H,1,8,11H2,2H3,(H,23,27)(H,24,26)