5-nitro-2,4-bis[(E)-2-phenylethenyl]aniline; 2,4,6-trinitrophenol

Systemtic Name: 5-nitro-2,4-bis[(E)-2-phenylethenyl]aniline; 2,4,6-trinitrophenol Openeye Name: 5-nitro-2,4-bis[(E)-styryl]aniline; picric acid CAS Name: 5-nitro-2,4-bis[(E)-2-phenylethenyl]aniline; 2,4,6-trinitrophenol IUPAC Name: 5-nitro-2,4-bis[(E)-2-phenylethenyl]aniline; 2,4,6-trinitrophenol Traditional Name: [5-nitro-2,4-bis[(E)-styryl]phenyl]amine; picric acid Formula: C28H21N5O9 MolecularWeight: 571.49444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC2=CC(=C(C=C2N)[N+](=O)[O-])C=CC3=CC=CC=C3.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(=C(C=C2N)[N+](=O)[O-])/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/C22H18N2O2.C6H3N3O7/c23-21-16-22(24(25)26)20(14-12-18-9-5-2-6-10-18)15-19(21)13-11-17-7-3-1-4-8-17;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-16H,23H2;1-2,10H/b13-11+,14-12+;