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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Br)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)Br)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H12BrN3O5/c1-9(15(22)19-11-7-5-10(18)6-8-11)20-16(23)12-3-2-4-13(21(25)26)14(12)17(20)24/h2-9H,1H3,(H,19,22)