N-[5-acetamido-2,4-bis[(E)-2-phenylethenyl]phenyl]ethanamide; 2,4,6-trinitrophenol

Systemtic Name: N-[5-acetamido-2,4-bis[(E)-2-phenylethenyl]phenyl]ethanamide; 2,4,6-trinitrophenol Openeye Name: N-[5-acetamido-2,4-bis[(E)-styryl]phenyl]acetamide; picric acid CAS Name: N-[5-acetamido-2,4-bis[(E)-2-phenylethenyl]phenyl]acetamide; 2,4,6-trinitrophenol IUPAC Name: N-[5-acetamido-2,4-bis[(E)-2-phenylethenyl]phenyl]acetamide; 2,4,6-trinitrophenol Traditional Name: N-[5-acetamido-2,4-bis[(E)-styryl]phenyl]acetamide; picric acid Formula: C32H27N5O9 MolecularWeight: 625.58488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1C=CC2=CC=CC=C2)C=CC3=CC=CC=C3)NC(=O)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1/C=C/C2=CC=CC=C2)/C=C/C3=CC=CC=C3)NC(=O)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C26H24N2O2.C6H3N3O7/c1-19(29)27-25-18-26(28-20(2)30)24(16-14-22-11-7-4-8-12-22)17-23(25)15-13-21-9-5-3-6-10-21;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-18H,1-2H3,(H,27,29)(H,28,30);1-2,10H/b15-13+,16-14+;