2-(5-nitropyridin-2-yl)sulfanylethyl 2-chloranylbenzoate

Systemtic Name: 2-(5-nitropyridin-2-yl)sulfanylethyl 2-chloranylbenzoate Openeye Name: 2-[(5-nitro-2-pyridyl)sulfanyl]ethyl 2-chlorobenzoate CAS Name: 2-chlorobenzoic acid 2-[(5-nitro-2-pyridinyl)thio]ethyl ester IUPAC Name: 2-(5-nitropyridin-2-yl)sulfanylethyl 2-chlorobenzoate Traditional Name: 2-chlorobenzoic acid 2-[(5-nitro-2-pyridyl)thio]ethyl ester Formula: C14H11ClN2O4S MolecularWeight: 338.76614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCCSC2=NC=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCCSC2=NC=C(C=C2)[N+](=O)[O-])Cl

InChI

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