[2-methyl-6,7-dinitro-4-(1-oxidanidylpyridin-1-ium-2-yl)-3H-1,4-benzoxazin-2-yl]methyl nitrate

Systemtic Name: [2-methyl-6,7-dinitro-4-(1-oxidanidylpyridin-1-ium-2-yl)-3H-1,4-benzoxazin-2-yl]methyl nitrate Openeye Name: [2-methyl-6,7-dinitro-4-(1-oxidopyridin-1-ium-2-yl)-3H-1,4-benzoxazin-2-yl]methyl nitrate CAS Name: nitric acid [2-methyl-6,7-dinitro-4-(1-oxido-2-pyridin-1-iumyl)-3H-1,4-benzoxazin-2-yl]methyl ester IUPAC Name: [2-methyl-6,7-dinitro-4-(1-oxidopyridin-1-ium-2-yl)-3H-1,4-benzoxazin-2-yl]methyl nitrate Traditional Name: nitric acid [2-methyl-6,7-dinitro-4-(1-oxidopyridin-1-ium-2-yl)-3H-1,4-benzoxazin-2-yl]methyl ester Formula: C15H13N5O9 MolecularWeight: 407.29182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(C2=CC(=C(C=C2O1)[N+](=O)[O-])[N+](=O)[O-])C3=CC=CC=[N+]3[O-])CO[N+](=O)[O-]

Isomeric SMILES

CC1(CN(C2=CC(=C(C=C2O1)[N+](=O)[O-])[N+](=O)[O-])C3=CC=CC=[N+]3[O-])CO[N+](=O)[O-]

InChI

InChI=1S/C15H13N5O9/c1-15(9-28-20(26)27)8-16(14-4-2-3-5-17(14)21)12-6-10(18(22)23)11(19(24)25)7-13(12)29-15/h2-7H,8-9H2,1H3