N'-[[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]propanediamide

Systemtic Name: N'-[[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]propanediamide Openeye Name: N'-[(5-nitro-1,3-dioxo-isoindolin-2-yl)methyl]propanediamide CAS Name: N'-[(5-nitro-1,3-dioxo-2-isoindolyl)methyl]propanediamide IUPAC Name: N'-[(5-nitro-1,3-dioxoisoindol-2-yl)methyl]propanediamide Traditional Name: N'-[(1,3-diketo-5-nitro-isoindolin-2-yl)methyl]malonamide Formula: C12H10N4O6 MolecularWeight: 306.231

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C2=O)CNC(=O)CC(=O)N

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C2=O)CNC(=O)CC(=O)N

InChI

InChI=1S/C12H10N4O6/c13-9(17)4-10(18)14-5-15-11(19)7-2-1-6(16(21)22)3-8(7)12(15)20/h1-3H,4-5H2,(H2,13,17)(H,14,18)