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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])COC(=O)C2=C(N=CC=C2)SCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])COC(=O)C2=C(N=CC=C2)SCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

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