(Z)-3-azanyl-1-cyclopropyl-3-quinoxalin-2-yl-prop-2-en-1-one; 2,4,6-trinitrophenol

Systemtic Name: (Z)-3-azanyl-1-cyclopropyl-3-quinoxalin-2-yl-prop-2-en-1-one; 2,4,6-trinitrophenol Openeye Name: (Z)-3-amino-1-cyclopropyl-3-quinoxalin-2-yl-prop-2-en-1-one; picric acid CAS Name: (Z)-3-amino-1-cyclopropyl-3-(2-quinoxalinyl)-2-propen-1-one; 2,4,6-trinitrophenol IUPAC Name: (Z)-3-amino-1-cyclopropyl-3-quinoxalin-2-ylprop-2-en-1-one; 2,4,6-trinitrophenol Traditional Name: (Z)-3-amino-1-cyclopropyl-3-quinoxalin-2-yl-prop-2-en-1-one; picric acid Formula: C20H16N6O8 MolecularWeight: 468.37644

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)C=C(C2=NC3=CC=CC=C3N=C2)N.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CC1C(=O)/C=C(/C2=NC3=CC=CC=C3N=C2)\N.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O.C6H3N3O7/c15-10(7-14(18)9-5-6-9)13-8-16-11-3-1-2-4-12(11)17-13;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-4,7-9H,5-6,15H2;1-2,10H/b10-7-;