2-diethylaminoethyl 1-(5-chloranyl-2-nitro-phenyl)sulfonylpyrrole-2-carboxylate

Systemtic Name: 2-diethylaminoethyl 1-(5-chloranyl-2-nitro-phenyl)sulfonylpyrrole-2-carboxylate Openeye Name: 2-diethylaminoethyl 1-(5-chloro-2-nitro-phenyl)sulfonylpyrrole-2-carboxylate CAS Name: 1-(5-chloro-2-nitrophenyl)sulfonyl-2-pyrrolecarboxylic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 1-(5-chloro-2-nitrophenyl)sulfonylpyrrole-2-carboxylate Traditional Name: 1-(5-chloro-2-nitro-phenyl)sulfonylpyrrole-2-carboxylic acid 2-diethylaminoethyl ester Formula: C17H20ClN3O6S MolecularWeight: 429.8752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN3O6S/c1-3-19(4-2)10-11-27-17(22)15-6-5-9-20(15)28(25,26)16-12-13(18)7-8-14(16)21(23)24/h5-9,12H,3-4,10-11H2,1-2H3