N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-3-(1-methylidene-3-oxidanylidene-isoindol-2-yl)propanamide

Systemtic Name: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-3-(1-methylidene-3-oxidanylidene-isoindol-2-yl)propanamide Openeye Name: N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-3-(1-methylene-3-oxo-isoindolin-2-yl)propanamide CAS Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(1-methylene-3-oxo-2-isoindolyl)propanamide IUPAC Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide Traditional Name: N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-3-(1-keto-3-methylene-isoindolin-2-yl)propionamide Formula: C21H20BrN3O3 MolecularWeight: 442.3058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CCN2C(=C)C3=CC=CC=C3C2=O

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CCN2C(=C)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H20BrN3O3/c1-13-11-15(22)7-8-18(13)24-20(27)12-23-19(26)9-10-25-14(2)16-5-3-4-6-17(16)21(25)28/h3-8,11H,2,9-10,12H2,1H3,(H,23,26)(H,24,27)