(4-nitrophenyl)methyl 2-[(4-nitrophenyl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[(4-nitrophenyl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[(4-nitrophenyl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[(4-nitrophenyl)methylthio]-3-pyridinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[(4-nitrophenyl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(4-nitrobenzyl)thio]nicotinic acid (4-nitrobenzyl) ester Formula: C20H15N3O6S MolecularWeight: 425.4146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(N=C1)SCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H15N3O6S/c24-20(29-12-14-3-7-16(8-4-14)22(25)26)18-2-1-11-21-19(18)30-13-15-5-9-17(10-6-15)23(27)28/h1-11H,12-13H2