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

Systemtic Name: N-[5-azanyl-2,4-bis[(E)-2-phenylethenyl]phenyl]ethanamide; 2,4,6-trinitrophenol Openeye Name: N-[5-amino-2,4-bis[(E)-styryl]phenyl]acetamide; picric acid CAS Name: N-[5-amino-2,4-bis[(E)-2-phenylethenyl]phenyl]acetamide; 2,4,6-trinitrophenol IUPAC Name: N-[5-amino-2,4-bis[(E)-2-phenylethenyl]phenyl]acetamide; 2,4,6-trinitrophenol Traditional Name: N-[5-amino-2,4-bis[(E)-styryl]phenyl]acetamide; picric acid Formula: C30H25N5O8 MolecularWeight: 583.5482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N2O.C6H3N3O7/c1-18(27)26-24-17-23(25)21(14-12-19-8-4-2-5-9-19)16-22(24)15-13-20-10-6-3-7-11-20;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-17H,25H2,1H3,(H,26,27);1-2,10H/b14-12+,15-13+;