2,4,6-trinitro-N1,N3-bis(phenylmethyl)benzene-1,3-diamine

Systemtic Name: 2,4,6-trinitro-N1,N3-bis(phenylmethyl)benzene-1,3-diamine Openeye Name: N1,N3-dibenzyl-2,4,6-trinitro-benzene-1,3-diamine CAS Name: 2,4,6-trinitro-N1,N3-bis(phenylmethyl)benzene-1,3-diamine IUPAC Name: 1-N,3-N-dibenzyl-2,4,6-trinitrobenzene-1,3-diamine Traditional Name: benzyl-[3-(benzylamino)-2,4,6-trinitro-phenyl]amine Formula: C20H17N5O6 MolecularWeight: 423.37888

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H17N5O6/c26-23(27)16-11-17(24(28)29)19(22-13-15-9-5-2-6-10-15)20(25(30)31)18(16)21-12-14-7-3-1-4-8-14/h1-11,21-22H,12-13H2