5-(aminomethyl)-2,4,6-trinitro-benzene-1,3-diamine

Systemtic Name: 5-(aminomethyl)-2,4,6-trinitro-benzene-1,3-diamine Openeye Name: 5-(aminomethyl)-2,4,6-trinitro-benzene-1,3-diamine CAS Name: 5-(aminomethyl)-2,4,6-trinitrobenzene-1,3-diamine IUPAC Name: 5-(aminomethyl)-2,4,6-trinitrobenzene-1,3-diamine Traditional Name: [3-amino-5-(aminomethyl)-2,4,6-trinitro-phenyl]amine Formula: C7H8N6O6 MolecularWeight: 272.17502

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Descriptors Computed from Structure

Canonical SMILES:

C(C1=C(C(=C(C(=C1[N+](=O)[O-])N)[N+](=O)[O-])N)[N+](=O)[O-])N

Isomeric SMILES

C(C1=C(C(=C(C(=C1[N+](=O)[O-])N)[N+](=O)[O-])N)[N+](=O)[O-])N

InChI

InChI=1S/C7H8N6O6/c8-1-2-5(11(14)15)3(9)7(13(18)19)4(10)6(2)12(16)17/h1,8-10H2