[4-[(3-nitropyridin-2-yl)disulfanyl]phenyl]methyl 4-nitrobenzoate

Systemtic Name: [4-[(3-nitropyridin-2-yl)disulfanyl]phenyl]methyl 4-nitrobenzoate Openeye Name: [4-[(3-nitro-2-pyridyl)disulfanyl]phenyl]methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-[(3-nitro-2-pyridinyl)disulfanyl]phenyl]methyl ester IUPAC Name: [4-[(3-nitropyridin-2-yl)disulfanyl]phenyl]methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-[(3-nitro-2-pyridyl)disulfanyl]benzyl] ester Formula: C19H13N3O6S2 MolecularWeight: 443.45302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SSC2=CC=C(C=C2)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(N=C1)SSC2=CC=C(C=C2)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H13N3O6S2/c23-19(14-5-7-15(8-6-14)21(24)25)28-12-13-3-9-16(10-4-13)29-30-18-17(22(26)27)2-1-11-20-18/h1-11H,12H2