1,2,5-trimethyl-4,4-diphenyl-piperidin-3-one; 2,4,6-trinitrophenol

Systemtic Name: 1,2,5-trimethyl-4,4-diphenyl-piperidin-3-one; 2,4,6-trinitrophenol Openeye Name: picric acid; 1,2,5-trimethyl-4,4-diphenyl-piperidin-3-one CAS Name: 1,2,5-trimethyl-4,4-diphenyl-3-piperidinone; 2,4,6-trinitrophenol IUPAC Name: 1,2,5-trimethyl-4,4-diphenylpiperidin-3-one; 2,4,6-trinitrophenol Traditional Name: picric acid; 1,2,5-trimethyl-4,4-diphenyl-3-piperidone Formula: C26H26N4O8 MolecularWeight: 522.50664

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(C(=O)C1(C2=CC=CC=C2)C3=CC=CC=C3)C)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1CN(C(C(=O)C1(C2=CC=CC=C2)C3=CC=CC=C3)C)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H23NO.C6H3N3O7/c1-15-14-21(3)16(2)19(22)20(15,17-10-6-4-7-11-17)18-12-8-5-9-13-18;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4-13,15-16H,14H2,1-3H3;1-2,10H