butyl ethanoate; N-methyl-N-(2,4,6-trinitrophenyl)nitramide

Systemtic Name: butyl ethanoate; N-methyl-N-(2,4,6-trinitrophenyl)nitramide Openeye Name: butyl acetate; N-methyl-N-(2,4,6-trinitrophenyl)nitramide CAS Name: acetic acid butyl ester; N-methyl-N-(2,4,6-trinitrophenyl)nitramide IUPAC Name: butyl acetate; N-methyl-N-(2,4,6-trinitrophenyl)nitramide Traditional Name: acetic acid butyl ester; N-methyl-N-picryl-nitramide Formula: C13H17N5O10 MolecularWeight: 403.30158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C.CN(C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)C.CN(C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C7H5N5O8.C6H12O2/c1-8(12(19)20)7-5(10(15)16)2-4(9(13)14)3-6(7)11(17)18;1-3-4-5-8-6(2)7/h2-3H,1H3;3-5H2,1-2H3