ethyl 4-[3-(2-chloranyl-4-nitro-phenyl)sulfanylpropanoylamino]benzoate

Systemtic Name: ethyl 4-[3-(2-chloranyl-4-nitro-phenyl)sulfanylpropanoylamino]benzoate Openeye Name: ethyl 4-[3-(2-chloro-4-nitro-phenyl)sulfanylpropanoylamino]benzoate CAS Name: 4-[[3-[(2-chloro-4-nitrophenyl)thio]-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(2-chloro-4-nitrophenyl)sulfanylpropanoylamino]benzoate Traditional Name: 4-[3-[(2-chloro-4-nitro-phenyl)thio]propanoylamino]benzoic acid ethyl ester Formula: C18H17ClN2O5S MolecularWeight: 408.85598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCSC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCSC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H17ClN2O5S/c1-2-26-18(23)12-3-5-13(6-4-12)20-17(22)9-10-27-16-8-7-14(21(24)25)11-15(16)19/h3-8,11H,2,9-10H2,1H3,(H,20,22)