1-(2,4-dinitrophenyl)-4-methyl-pyridin-1-ium; 2-nitrophenolate

Systemtic Name: 1-(2,4-dinitrophenyl)-4-methyl-pyridin-1-ium; 2-nitrophenolate Openeye Name: 1-(2,4-dinitrophenyl)-4-methyl-pyridin-1-ium; 2-nitrophenolate CAS Name: 1-(2,4-dinitrophenyl)-4-methylpyridin-1-ium; 2-nitrophenolate IUPAC Name: 1-(2,4-dinitrophenyl)-4-methylpyridin-1-ium; 2-nitrophenolate Traditional Name: 1-(2,4-dinitrophenyl)-4-methyl-pyridin-1-ium; 2-nitrophenolate Formula: C18H14N4O7 MolecularWeight: 398.32636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-].C1=CC=C(C(=C1)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=CC=[N+](C=C1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-].C1=CC=C(C(=C1)[N+](=O)[O-])[O-]

InChI

InChI=1S/C12H10N3O4.C6H5NO3/c1-9-4-6-13(7-5-9)11-3-2-10(14(16)17)8-12(11)15(18)19;8-6-4-2-1-3-5(6)7(9)10/h2-8H,1H3;1-4,8H/q+1;/p-1