1,3-diazidopropan-2-yl 4,4,4-trinitrobutanoate

Systemtic Name: 1,3-diazidopropan-2-yl 4,4,4-trinitrobutanoate Openeye Name: [2-azido-1-(azidomethyl)ethyl] 4,4,4-trinitrobutanoate CAS Name: 4,4,4-trinitrobutanoic acid 1,3-diazidopropan-2-yl ester IUPAC Name: 1,3-diazidopropan-2-yl 4,4,4-trinitrobutanoate Traditional Name: 4,4,4-trinitrobutyric acid [2-azido-1-(azidomethyl)ethyl] ester Formula: C7H9N9O8 MolecularWeight: 347.20186

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Descriptors Computed from Structure

Canonical SMILES:

C(CC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])C(=O)OC(CN=[N+]=[N-])CN=[N+]=[N-]

Isomeric SMILES

C(CC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])C(=O)OC(CN=[N+]=[N-])CN=[N+]=[N-]

InChI

InChI=1S/C7H9N9O8/c8-12-10-3-5(4-11-13-9)24-6(17)1-2-7(14(18)19,15(20)21)16(22)23/h5H,1-4H2