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

Systemtic Name: N-[3-(benzotriazol-1-yl)butyl]-4-methoxy-aniline; 2,4,6-trinitrophenol Openeye Name: N-[3-(benzotriazol-1-yl)butyl]-4-methoxy-aniline; picric acid CAS Name: N-[3-(1-benzotriazolyl)butyl]-4-methoxyaniline; 2,4,6-trinitrophenol IUPAC Name: N-[3-(benzotriazol-1-yl)butyl]-4-methoxyaniline; 2,4,6-trinitrophenol Traditional Name: 3-(benzotriazol-1-yl)butyl-(4-methoxyphenyl)amine; picric acid Formula: C23H23N7O8 MolecularWeight: 525.47082

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCNC1=CC=C(C=C1)OC)N2C3=CC=CC=C3N=N2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(CCNC1=CC=C(C=C1)OC)N2C3=CC=CC=C3N=N2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O.C6H3N3O7/c1-13(21-17-6-4-3-5-16(17)19-20-21)11-12-18-14-7-9-15(22-2)10-8-14;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-10,13,18H,11-12H2,1-2H3;1-2,10H