N-(4-methyl-3-nitro-phenyl)-2,4,6-trinitro-aniline

Systemtic Name: N-(4-methyl-3-nitro-phenyl)-2,4,6-trinitro-aniline Openeye Name: N-(4-methyl-3-nitro-phenyl)-2,4,6-trinitro-aniline CAS Name: N-(4-methyl-3-nitrophenyl)-2,4,6-trinitroaniline IUPAC Name: N-(4-methyl-3-nitrophenyl)-2,4,6-trinitroaniline Traditional Name: (4-methyl-3-nitro-phenyl)-picryl-amine Formula: C13H9N5O8 MolecularWeight: 363.23926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H9N5O8/c1-7-2-3-8(4-10(7)16(21)22)14-13-11(17(23)24)5-9(15(19)20)6-12(13)18(25)26/h2-6,14H,1H3