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

Systemtic Name: N-methyl-4-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]butanamide Openeye Name: N-methyl-4-(4-nitro-1,3-dioxo-isoindolin-2-yl)butanamide CAS Name: N-methyl-4-(4-nitro-1,3-dioxo-2-isoindolyl)butanamide IUPAC Name: N-methyl-4-(4-nitro-1,3-dioxoisoindol-2-yl)butanamide Traditional Name: 4-(1,3-diketo-4-nitro-isoindolin-2-yl)-N-methyl-butyramide Formula: C13H13N3O5 MolecularWeight: 291.25942

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CCCN1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CNC(=O)CCCN1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O5/c1-14-10(17)6-3-7-15-12(18)8-4-2-5-9(16(20)21)11(8)13(15)19/h2,4-5H,3,6-7H2,1H3,(H,14,17)