N1-phenethyl-N2-(phenylmethyl)benzene-1,2-diamine; 2,4,6-trinitrophenol

Systemtic Name: N1-phenethyl-N2-(phenylmethyl)benzene-1,2-diamine; 2,4,6-trinitrophenol Openeye Name: N2-benzyl-N1-phenethyl-benzene-1,2-diamine; picric acid CAS Name: N1-phenethyl-N2-(phenylmethyl)benzene-1,2-diamine; 2,4,6-trinitrophenol IUPAC Name: 2-N-benzyl-1-N-phenethylbenzene-1,2-diamine; 2,4,6-trinitrophenol Traditional Name: benzyl-[2-(phenethylamino)phenyl]amine; picric acid Formula: C27H25N5O7 MolecularWeight: 531.5167

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=CC=CC=C2NCC3=CC=CC=C3.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=CC=CC=C2NCC3=CC=CC=C3.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H22N2.C6H3N3O7/c1-3-9-18(10-4-1)15-16-22-20-13-7-8-14-21(20)23-17-19-11-5-2-6-12-19;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-14,22-23H,15-17H2;1-2,10H