1-(3-nitrophenyl)ethyl 2-chloranyl-5-methylsulfanyl-benzoate

Systemtic Name: 1-(3-nitrophenyl)ethyl 2-chloranyl-5-methylsulfanyl-benzoate Openeye Name: 1-(3-nitrophenyl)ethyl 2-chloro-5-methylsulfanyl-benzoate CAS Name: 2-chloro-5-(methylthio)benzoic acid 1-(3-nitrophenyl)ethyl ester IUPAC Name: 1-(3-nitrophenyl)ethyl 2-chloro-5-methylsulfanylbenzoate Traditional Name: 2-chloro-5-(methylthio)benzoic acid 1-(3-nitrophenyl)ethyl ester Formula: C16H14ClNO4S MolecularWeight: 351.80466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=C(C=CC(=C2)SC)Cl

Isomeric SMILES

CC(C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=C(C=CC(=C2)SC)Cl

InChI

InChI=1S/C16H14ClNO4S/c1-10(11-4-3-5-12(8-11)18(20)21)22-16(19)14-9-13(23-2)6-7-15(14)17/h3-10H,1-2H3