2-(4-chlorophenyl)sulfanylethyl 4-(methylamino)-3-nitro-benzoate

Systemtic Name: 2-(4-chlorophenyl)sulfanylethyl 4-(methylamino)-3-nitro-benzoate Openeye Name: 2-(4-chlorophenyl)sulfanylethyl 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid 2-[(4-chlorophenyl)thio]ethyl ester IUPAC Name: 2-(4-chlorophenyl)sulfanylethyl 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid 2-[(4-chlorophenyl)thio]ethyl ester Formula: C16H15ClN2O4S MolecularWeight: 366.8193

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCCSC2=CC=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCCSC2=CC=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H15ClN2O4S/c1-18-14-7-2-11(10-15(14)19(21)22)16(20)23-8-9-24-13-5-3-12(17)4-6-13/h2-7,10,18H,8-9H2,1H3