(Z)-2-phenyl-3-[2-(pyridin-2-ylmethyl)phenyl]prop-2-enenitrile; 2,4,6-trinitrophenol

Systemtic Name: (Z)-2-phenyl-3-[2-(pyridin-2-ylmethyl)phenyl]prop-2-enenitrile; 2,4,6-trinitrophenol Openeye Name: (Z)-2-phenyl-3-[2-(2-pyridylmethyl)phenyl]prop-2-enenitrile; picric acid CAS Name: (Z)-2-phenyl-3-[2-(2-pyridinylmethyl)phenyl]-2-propenenitrile; 2,4,6-trinitrophenol IUPAC Name: (Z)-2-phenyl-3-[2-(pyridin-2-ylmethyl)phenyl]prop-2-enenitrile; 2,4,6-trinitrophenol Traditional Name: (Z)-2-phenyl-3-[2-(2-pyridylmethyl)phenyl]acrylonitrile; picric acid Formula: C27H19N5O7 MolecularWeight: 525.46906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=CC2=CC=CC=C2CC3=CC=CC=N3)C#N.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)/C(=C/C2=CC=CC=C2CC3=CC=CC=N3)/C#N.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H16N2.C6H3N3O7/c22-16-20(17-8-2-1-3-9-17)14-18-10-4-5-11-19(18)15-21-12-6-7-13-23-21;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-14H,15H2;1-2,10H/b20-14+;