ethyl 2,4-dimethyl-5-[2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)acetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]-1-oxoethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)acetyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)acetyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H25N3O8S MolecularWeight: 479.5035

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])C

InChI

InChI=1S/C21H25N3O8S/c1-4-31-21(26)19-13(2)20(22-14(19)3)17(25)12-32-18-8-7-15(11-16(18)24(27)28)33(29,30)23-9-5-6-10-23/h7-8,11,22H,4-6,9-10,12H2,1-3H3