[4-[(4-acetyloxy-2,2-dinitro-butyl)-cyano-amino]-3,3-dinitro-butyl] ethanoate

Systemtic Name: [4-[(4-acetyloxy-2,2-dinitro-butyl)-cyano-amino]-3,3-dinitro-butyl] ethanoate Openeye Name: [4-[(4-acetoxy-2,2-dinitro-butyl)-cyano-amino]-3,3-dinitro-butyl] acetate CAS Name: acetic acid [4-[(4-acetyloxy-2,2-dinitrobutyl)-cyanoamino]-3,3-dinitrobutyl] ester IUPAC Name: [4-[(4-acetyloxy-2,2-dinitrobutyl)-cyanoamino]-3,3-dinitrobutyl] acetate Traditional Name: acetic acid [4-[(4-acetoxy-2,2-dinitro-butyl)-cyano-amino]-3,3-dinitro-butyl] ester Formula: C13H18N6O12 MolecularWeight: 450.31502

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCC(CN(CC(CCOC(=O)C)([N+](=O)[O-])[N+](=O)[O-])C#N)([N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(=O)OCCC(CN(CC(CCOC(=O)C)([N+](=O)[O-])[N+](=O)[O-])C#N)([N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H18N6O12/c1-10(20)30-5-3-12(16(22)23,17(24)25)7-15(9-14)8-13(18(26)27,19(28)29)4-6-31-11(2)21/h3-8H2,1-2H3