1-methyl-2-[(E)-2-phenylethenyl]pyridin-1-ium; 2,4,6-trinitrophenolate

Systemtic Name: 1-methyl-2-[(E)-2-phenylethenyl]pyridin-1-ium; 2,4,6-trinitrophenolate Openeye Name: 1-methyl-2-[(E)-styryl]pyridin-1-ium; 2,4,6-trinitrophenolate CAS Name: 1-methyl-2-[(E)-2-phenylethenyl]pyridin-1-ium; 2,4,6-trinitrophenolate IUPAC Name: 1-methyl-2-[(E)-2-phenylethenyl]pyridin-1-ium; 2,4,6-trinitrophenolate Traditional Name: 1-methyl-2-[(E)-styryl]pyridin-1-ium picrate Formula: C20H16N4O7 MolecularWeight: 424.36364

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1C=CC2=CC=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[N+]1=CC=CC=C1/C=C/C2=CC=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H14N.C6H3N3O7/c1-15-12-6-5-9-14(15)11-10-13-7-3-2-4-8-13;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-12H,1H3;1-2,10H/q+1;/p-1/b11-10+;