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

Systemtic Name: 4-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-N-(3-nitrophenyl)butanamide Openeye Name: 4-(5-bromo-1,3-dioxo-isoindolin-2-yl)-N-(3-nitrophenyl)butanamide CAS Name: 4-(5-bromo-1,3-dioxo-2-isoindolyl)-N-(3-nitrophenyl)butanamide IUPAC Name: 4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(3-nitrophenyl)butanamide Traditional Name: 4-(5-bromo-1,3-diketo-isoindolin-2-yl)-N-(3-nitrophenyl)butyramide Formula: C18H14BrN3O5 MolecularWeight: 432.22486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14BrN3O5/c19-11-6-7-14-15(9-11)18(25)21(17(14)24)8-2-5-16(23)20-12-3-1-4-13(10-12)22(26)27/h1,3-4,6-7,9-10H,2,5,8H2,(H,20,23)