ethyl 2-(4-chlorophenyl)sulfanyl-5-nitro-benzoate

Systemtic Name: ethyl 2-(4-chlorophenyl)sulfanyl-5-nitro-benzoate Openeye Name: ethyl 2-(4-chlorophenyl)sulfanyl-5-nitro-benzoate CAS Name: 2-[(4-chlorophenyl)thio]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 2-(4-chlorophenyl)sulfanyl-5-nitrobenzoate Traditional Name: 2-[(4-chlorophenyl)thio]-5-nitro-benzoic acid ethyl ester Formula: C15H12ClNO4S MolecularWeight: 337.77808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])SC2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H12ClNO4S/c1-2-21-15(18)13-9-11(17(19)20)5-8-14(13)22-12-6-3-10(16)4-7-12/h3-9H,2H2,1H3