N-(2-bromophenyl)-3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanamide

Systemtic Name: N-(2-bromophenyl)-3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanamide Openeye Name: N-(2-bromophenyl)-3-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanamide CAS Name: N-(2-bromophenyl)-3-(4-nitro-1,3-dioxo-2-isoindolyl)propanamide IUPAC Name: N-(2-bromophenyl)-3-(4-nitro-1,3-dioxoisoindol-2-yl)propanamide Traditional Name: N-(2-bromophenyl)-3-(1,3-diketo-4-nitro-isoindolin-2-yl)propionamide Formula: C17H12BrN3O5 MolecularWeight: 418.19828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C17H12BrN3O5/c18-11-5-1-2-6-12(11)19-14(22)8-9-20-16(23)10-4-3-7-13(21(25)26)15(10)17(20)24/h1-7H,8-9H2,(H,19,22)