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

Systemtic Name: 1-[(4-nitrophenyl)methyl]pyridin-1-ium; 2,4,6-trinitrophenolate Openeye Name: 1-[(4-nitrophenyl)methyl]pyridin-1-ium; 2,4,6-trinitrophenolate CAS Name: 1-[(4-nitrophenyl)methyl]pyridin-1-ium; 2,4,6-trinitrophenolate IUPAC Name: 1-[(4-nitrophenyl)methyl]pyridin-1-ium; 2,4,6-trinitrophenolate Traditional Name: 1-(4-nitrobenzyl)pyridin-1-ium picrate Formula: C18H13N5O9 MolecularWeight: 443.32392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N2O2.C6H3N3O7/c15-14(16)12-6-4-11(5-7-12)10-13-8-2-1-3-9-13;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-9H,10H2;1-2,10H/q+1;/p-1