2-(3-nitropyridin-2-yl)sulfanylethyl 3-chloranylbenzoate

Systemtic Name: 2-(3-nitropyridin-2-yl)sulfanylethyl 3-chloranylbenzoate Openeye Name: 2-[(3-nitro-2-pyridyl)sulfanyl]ethyl 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid 2-[(3-nitro-2-pyridinyl)thio]ethyl ester IUPAC Name: 2-(3-nitropyridin-2-yl)sulfanylethyl 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid 2-[(3-nitro-2-pyridyl)thio]ethyl ester Formula: C14H11ClN2O4S MolecularWeight: 338.76614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)C(=O)OCCSC2=C(C=CC=N2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Cl)C(=O)OCCSC2=C(C=CC=N2)[N+](=O)[O-]

InChI

InChI=1S/C14H11ClN2O4S/c15-11-4-1-3-10(9-11)14(18)21-7-8-22-13-12(17(19)20)5-2-6-16-13/h1-6,9H,7-8H2