N3-(4-methylphenyl)-2,4,6-trinitro-benzene-1,3-diamine

Systemtic Name: N3-(4-methylphenyl)-2,4,6-trinitro-benzene-1,3-diamine Openeye Name: 2,4,6-trinitro-N3-(p-tolyl)benzene-1,3-diamine CAS Name: N3-(4-methylphenyl)-2,4,6-trinitrobenzene-1,3-diamine IUPAC Name: 3-N-(4-methylphenyl)-2,4,6-trinitrobenzene-1,3-diamine Traditional Name: (3-amino-2,4,6-trinitro-phenyl)-(p-tolyl)amine Formula: C13H11N5O6 MolecularWeight: 333.25634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N5O6/c1-7-2-4-8(5-3-7)15-12-10(17(21)22)6-9(16(19)20)11(14)13(12)18(23)24/h2-6,15H,14H2,1H3