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

Systemtic Name: 2-methyl-4,6-dinitro-N1,N3-bis(phenylmethyl)benzene-1,3-diamine Openeye Name: N1,N3-dibenzyl-2-methyl-4,6-dinitro-benzene-1,3-diamine CAS Name: 2-methyl-4,6-dinitro-N1,N3-bis(phenylmethyl)benzene-1,3-diamine IUPAC Name: 1-N,3-N-dibenzyl-2-methyl-4,6-dinitrobenzene-1,3-diamine Traditional Name: benzyl-[3-(benzylamino)-2-methyl-4,6-dinitro-phenyl]amine Formula: C21H20N4O4 MolecularWeight: 392.4079

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1NCC2=CC=CC=C2)[N+](=O)[O-])[N+](=O)[O-])NCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC(=C1NCC2=CC=CC=C2)[N+](=O)[O-])[N+](=O)[O-])NCC3=CC=CC=C3

InChI

InChI=1S/C21H20N4O4/c1-15-20(22-13-16-8-4-2-5-9-16)18(24(26)27)12-19(25(28)29)21(15)23-14-17-10-6-3-7-11-17/h2-12,22-23H,13-14H2,1H3