5-methyl-1,2-bis(phenylmethyl)pyrazol-3-one; 2,4,6-trinitrophenol

Systemtic Name: 5-methyl-1,2-bis(phenylmethyl)pyrazol-3-one; 2,4,6-trinitrophenol Openeye Name: 1,2-dibenzyl-5-methyl-pyrazol-3-one; picric acid CAS Name: 5-methyl-1,2-bis(phenylmethyl)-3-pyrazolone; 2,4,6-trinitrophenol IUPAC Name: 1,2-dibenzyl-5-methylpyrazol-3-one; 2,4,6-trinitrophenol Traditional Name: 1,2-dibenzyl-5-methyl-3-pyrazolin-3-one; picric acid Formula: C24H21N5O8 MolecularWeight: 507.45224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(N1CC2=CC=CC=C2)CC3=CC=CC=C3.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=O)N(N1CC2=CC=CC=C2)CC3=CC=CC=C3.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O.C6H3N3O7/c1-15-12-18(21)20(14-17-10-6-3-7-11-17)19(15)13-16-8-4-2-5-9-16;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-12H,13-14H2,1H3;1-2,10H