ethyl 1-(5-chloranyl-2-nitro-phenyl)sulfonyl-4-(phenoxymethyl)pyrrole-2-carboxylate

Systemtic Name: ethyl 1-(5-chloranyl-2-nitro-phenyl)sulfonyl-4-(phenoxymethyl)pyrrole-2-carboxylate Openeye Name: ethyl 1-(5-chloro-2-nitro-phenyl)sulfonyl-4-(phenoxymethyl)pyrrole-2-carboxylate CAS Name: 1-(5-chloro-2-nitrophenyl)sulfonyl-4-(phenoxymethyl)-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(5-chloro-2-nitrophenyl)sulfonyl-4-(phenoxymethyl)pyrrole-2-carboxylate Traditional Name: 1-(5-chloro-2-nitro-phenyl)sulfonyl-4-(phenoxymethyl)pyrrole-2-carboxylic acid ethyl ester Formula: C20H17ClN2O7S MolecularWeight: 464.87618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CN1S(=O)(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-])COC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC(=CN1S(=O)(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-])COC3=CC=CC=C3

InChI

InChI=1S/C20H17ClN2O7S/c1-2-29-20(24)18-10-14(13-30-16-6-4-3-5-7-16)12-22(18)31(27,28)19-11-15(21)8-9-17(19)23(25)26/h3-12H,2,13H2,1H3