N-[3-(benzotriazol-1-yl)propyl]-4-methyl-aniline; 2,4,6-trinitrophenol

Systemtic Name: N-[3-(benzotriazol-1-yl)propyl]-4-methyl-aniline; 2,4,6-trinitrophenol Openeye Name: N-[3-(benzotriazol-1-yl)propyl]-4-methyl-aniline; picric acid CAS Name: N-[3-(1-benzotriazolyl)propyl]-4-methylaniline; 2,4,6-trinitrophenol IUPAC Name: N-[3-(benzotriazol-1-yl)propyl]-4-methylaniline; 2,4,6-trinitrophenol Traditional Name: 3-(benzotriazol-1-yl)propyl-(p-tolyl)amine; picric acid Formula: C22H21N7O7 MolecularWeight: 495.44484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NCCCN2C3=CC=CC=C3N=N2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NCCCN2C3=CC=CC=C3N=N2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H18N4.C6H3N3O7/c1-13-7-9-14(10-8-13)17-11-4-12-20-16-6-3-2-5-15(16)18-19-20;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-3,5-10,17H,4,11-12H2,1H3;1-2,10H