3,3,4-trimethyl-N-(2,4,6-trinitrophenyl)-1,4-benzoxazin-2-imine

Systemtic Name: 3,3,4-trimethyl-N-(2,4,6-trinitrophenyl)-1,4-benzoxazin-2-imine Openeye Name: 3,3,4-trimethyl-N-(2,4,6-trinitrophenyl)-1,4-benzoxazin-2-imine CAS Name: 3,3,4-trimethyl-N-(2,4,6-trinitrophenyl)-1,4-benzoxazin-2-imine IUPAC Name: 3,3,4-trimethyl-N-(2,4,6-trinitrophenyl)-1,4-benzoxazin-2-imine Traditional Name: picryl-(3,3,4-trimethyl-1,4-benzoxazin-2-ylidene)amine Formula: C17H15N5O7 MolecularWeight: 401.3303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])OC3=CC=CC=C3N1C)C

Isomeric SMILES

CC1(C(=NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])OC3=CC=CC=C3N1C)C

InChI

InChI=1S/C17H15N5O7/c1-17(2)16(29-14-7-5-4-6-11(14)19(17)3)18-15-12(21(25)26)8-10(20(23)24)9-13(15)22(27)28/h4-9H,1-3H3