4-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-N-methyl-N-[1-(3-nitrophenyl)ethyl]butanamide

Systemtic Name: 4-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-N-methyl-N-[1-(3-nitrophenyl)ethyl]butanamide Openeye Name: 4-(5-bromo-1,3-dioxo-isoindolin-2-yl)-N-methyl-N-[1-(3-nitrophenyl)ethyl]butanamide CAS Name: 4-(5-bromo-1,3-dioxo-2-isoindolyl)-N-methyl-N-[1-(3-nitrophenyl)ethyl]butanamide IUPAC Name: 4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-methyl-N-[1-(3-nitrophenyl)ethyl]butanamide Traditional Name: 4-(5-bromo-1,3-diketo-isoindolin-2-yl)-N-methyl-N-[1-(3-nitrophenyl)ethyl]butyramide Formula: C21H20BrN3O5 MolecularWeight: 474.3046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])N(C)C(=O)CCCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

CC(C1=CC(=CC=C1)[N+](=O)[O-])N(C)C(=O)CCCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C21H20BrN3O5/c1-13(14-5-3-6-16(11-14)25(29)30)23(2)19(26)7-4-10-24-20(27)17-9-8-15(22)12-18(17)21(24)28/h3,5-6,8-9,11-13H,4,7,10H2,1-2H3