phenyl (Z)-3-(2-aminophenyl)prop-2-enoate; 2,4,6-trinitrophenol

Systemtic Name: phenyl (Z)-3-(2-aminophenyl)prop-2-enoate; 2,4,6-trinitrophenol Openeye Name: phenyl (Z)-3-(2-aminophenyl)prop-2-enoate; picric acid CAS Name: (Z)-3-(2-aminophenyl)-2-propenoic acid phenyl ester; 2,4,6-trinitrophenol IUPAC Name: phenyl (Z)-3-(2-aminophenyl)prop-2-enoate; 2,4,6-trinitrophenol Traditional Name: (Z)-3-(2-aminophenyl)acrylic acid phenyl ester; picric acid Formula: C21H16N4O9 MolecularWeight: 468.37314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=O)C=CC2=CC=CC=C2N.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OC(=O)/C=C\C2=CC=CC=C2N.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H13NO2.C6H3N3O7/c16-14-9-5-4-6-12(14)10-11-15(17)18-13-7-2-1-3-8-13;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-11H,16H2;1-2,10H/b11-10-;