methyl 4-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)amino]butanoate

Systemtic Name: methyl 4-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)amino]butanoate Openeye Name: methyl 4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-anilino)butanoate CAS Name: 4-[2-nitro-4-(1-pyrrolidinylsulfonyl)anilino]butanoic acid methyl ester IUPAC Name: methyl 4-(2-nitro-4-pyrrolidin-1-ylsulfonylanilino)butanoate Traditional Name: 4-(2-nitro-4-pyrrolidinosulfonyl-anilino)butyric acid methyl ester Formula: C15H21N3O6S MolecularWeight: 371.40874

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCCNC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-]

InChI

InChI=1S/C15H21N3O6S/c1-24-15(19)5-4-8-16-13-7-6-12(11-14(13)18(20)21)25(22,23)17-9-2-3-10-17/h6-7,11,16H,2-5,8-10H2,1H3