2-(4-cyano-2-nitro-phenyl)sulfanylethyl 4-chloranylbenzoate

Systemtic Name: 2-(4-cyano-2-nitro-phenyl)sulfanylethyl 4-chloranylbenzoate Openeye Name: 2-(4-cyano-2-nitro-phenyl)sulfanylethyl 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid 2-[(4-cyano-2-nitrophenyl)thio]ethyl ester IUPAC Name: 2-(4-cyano-2-nitrophenyl)sulfanylethyl 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid 2-[(4-cyano-2-nitro-phenyl)thio]ethyl ester Formula: C16H11ClN2O4S MolecularWeight: 362.78754

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCCSC2=C(C=C(C=C2)C#N)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCCSC2=C(C=C(C=C2)C#N)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H11ClN2O4S/c17-13-4-2-12(3-5-13)16(20)23-7-8-24-15-6-1-11(10-18)9-14(15)19(21)22/h1-6,9H,7-8H2