N-(2-methylphenyl)-2,4,6-trinitro-aniline

Systemtic Name: N-(2-methylphenyl)-2,4,6-trinitro-aniline Openeye Name: 2,4,6-trinitro-N-(o-tolyl)aniline CAS Name: N-(2-methylphenyl)-2,4,6-trinitroaniline IUPAC Name: N-(2-methylphenyl)-2,4,6-trinitroaniline Traditional Name: o-tolyl(picryl)amine Formula: C13H10N4O6 MolecularWeight: 318.2417

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H10N4O6/c1-8-4-2-3-5-10(8)14-13-11(16(20)21)6-9(15(18)19)7-12(13)17(22)23/h2-7,14H,1H3