ethyl 3-(4-chloranyl-2-nitro-5-pyrrol-1-yl-phenyl)sulfanylpropanoate

Systemtic Name: ethyl 3-(4-chloranyl-2-nitro-5-pyrrol-1-yl-phenyl)sulfanylpropanoate Openeye Name: ethyl 3-(4-chloro-2-nitro-5-pyrrol-1-yl-phenyl)sulfanylpropanoate CAS Name: 3-[[4-chloro-2-nitro-5-(1-pyrrolyl)phenyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 3-(4-chloro-2-nitro-5-pyrrol-1-ylphenyl)sulfanylpropanoate Traditional Name: 3-[(4-chloro-2-nitro-5-pyrrol-1-yl-phenyl)thio]propionic acid ethyl ester Formula: C15H15ClN2O4S MolecularWeight: 354.8086

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCSC1=C(C=C(C(=C1)N2C=CC=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCSC1=C(C=C(C(=C1)N2C=CC=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H15ClN2O4S/c1-2-22-15(19)5-8-23-14-10-12(17-6-3-4-7-17)11(16)9-13(14)18(20)21/h3-4,6-7,9-10H,2,5,8H2,1H3