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

Systemtic Name: 3-nitro-4-[(E)-2-phenylethenyl]aniline; 2,4,6-trinitrophenol Openeye Name: 3-nitro-4-[(E)-styryl]aniline; picric acid CAS Name: 3-nitro-4-[(E)-2-phenylethenyl]aniline; 2,4,6-trinitrophenol IUPAC Name: 3-nitro-4-[(E)-2-phenylethenyl]aniline; 2,4,6-trinitrophenol Traditional Name: [3-nitro-4-[(E)-styryl]phenyl]amine; picric acid Formula: C20H15N5O9 MolecularWeight: 469.3612

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C14H12N2O2.C6H3N3O7/c15-13-9-8-12(14(10-13)16(17)18)7-6-11-4-2-1-3-5-11;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-10H,15H2;1-2,10H/b7-6+;