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

Systemtic Name: [5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methyl N-propylcarbamate Openeye Name: (5-nitro-1,3-dioxo-isoindolin-2-yl)methyl N-propylcarbamate CAS Name: N-propylcarbamic acid (5-nitro-1,3-dioxo-2-isoindolyl)methyl ester IUPAC Name: (5-nitro-1,3-dioxoisoindol-2-yl)methyl N-propylcarbamate Traditional Name: N-propylcarbamic acid (1,3-diketo-5-nitro-isoindolin-2-yl)methyl ester Formula: C13H13N3O6 MolecularWeight: 307.25882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)OCN1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)OCN1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O6/c1-2-5-14-13(19)22-7-15-11(17)9-4-3-8(16(20)21)6-10(9)12(15)18/h3-4,6H,2,5,7H2,1H3,(H,14,19)