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

Systemtic Name: ethyl 1-(5-chloranyl-2-nitro-phenyl)sulfonyl-4-(phenylazanylmethyl)pyrrole-2-carboxylate Openeye Name: ethyl 4-(anilinomethyl)-1-(5-chloro-2-nitro-phenyl)sulfonyl-pyrrole-2-carboxylate CAS Name: 4-(anilinomethyl)-1-(5-chloro-2-nitrophenyl)sulfonyl-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(anilinomethyl)-1-(5-chloro-2-nitrophenyl)sulfonylpyrrole-2-carboxylate Traditional Name: 4-(anilinomethyl)-1-(5-chloro-2-nitro-phenyl)sulfonyl-pyrrole-2-carboxylic acid ethyl ester Formula: C20H18ClN3O6S MolecularWeight: 463.89142

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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-])CNC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC(=CN1S(=O)(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-])CNC3=CC=CC=C3

InChI

InChI=1S/C20H18ClN3O6S/c1-2-30-20(25)18-10-14(12-22-16-6-4-3-5-7-16)13-23(18)31(28,29)19-11-15(21)8-9-17(19)24(26)27/h3-11,13,22H,2,12H2,1H3