methyl 1-ethanoyl-2,2-dimethyl-4-[2-[(4-nitrophenyl)methoxycarbonylamino]ethylsulfonyl]-3H-pyrrole-5-carboxylate

Systemtic Name: methyl 1-ethanoyl-2,2-dimethyl-4-[2-[(4-nitrophenyl)methoxycarbonylamino]ethylsulfonyl]-3H-pyrrole-5-carboxylate Openeye Name: methyl 1-acetyl-2,2-dimethyl-4-[2-[(4-nitrophenyl)methoxycarbonylamino]ethylsulfonyl]-3H-pyrrole-5-carboxylate CAS Name: 1-acetyl-2,2-dimethyl-4-[2-[[(4-nitrophenyl)methoxy-oxomethyl]amino]ethylsulfonyl]-3H-pyrrole-5-carboxylic acid methyl ester IUPAC Name: methyl 1-acetyl-2,2-dimethyl-4-[2-[(4-nitrophenyl)methoxycarbonylamino]ethylsulfonyl]-3H-pyrrole-5-carboxylate Traditional Name: 1-acetyl-5,5-dimethyl-3-[2-[(4-nitrobenzyl)oxycarbonylamino]ethylsulfonyl]-2-pyrroline-2-carboxylic acid methyl ester Formula: C20H25N3O9S MolecularWeight: 483.4922

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(=C(CC1(C)C)S(=O)(=O)CCNC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(=O)N1C(=C(CC1(C)C)S(=O)(=O)CCNC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C20H25N3O9S/c1-13(24)22-17(18(25)31-4)16(11-20(22,2)3)33(29,30)10-9-21-19(26)32-12-14-5-7-15(8-6-14)23(27)28/h5-8H,9-12H2,1-4H3,(H,21,26)