4-[3-(benzotriazol-1-yl)-3-phenyl-propyl]morpholine; 2,4,6-trinitrophenol

Systemtic Name: 4-[3-(benzotriazol-1-yl)-3-phenyl-propyl]morpholine; 2,4,6-trinitrophenol Openeye Name: 4-[3-(benzotriazol-1-yl)-3-phenyl-propyl]morpholine; picric acid CAS Name: 4-[3-(1-benzotriazolyl)-3-phenylpropyl]morpholine; 2,4,6-trinitrophenol IUPAC Name: 4-[3-(benzotriazol-1-yl)-3-phenylpropyl]morpholine; 2,4,6-trinitrophenol Traditional Name: 4-[3-(benzotriazol-1-yl)-3-phenyl-propyl]morpholine; picric acid Formula: C25H25N7O8 MolecularWeight: 551.5081

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCC(C2=CC=CC=C2)N3C4=CC=CC=C4N=N3.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1COCCN1CCC(C2=CC=CC=C2)N3C4=CC=CC=C4N=N3.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O.C6H3N3O7/c1-2-6-16(7-3-1)18(10-11-22-12-14-24-15-13-22)23-19-9-5-4-8-17(19)20-21-23;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-9,18H,10-15H2;1-2,10H