ethyl 2,4-dimethyl-5-[2-(3-nitro-4-piperidin-1-yl-phenyl)carbonyloxyethanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[2-(3-nitro-4-piperidin-1-yl-phenyl)carbonyloxyethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[2-[3-nitro-4-(1-piperidyl)benzoyl]oxyacetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[2-[[3-nitro-4-(1-piperidinyl)phenyl]-oxomethoxy]-1-oxoethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[2-(3-nitro-4-piperidin-1-ylbenzoyl)oxyacetyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-(3-nitro-4-piperidino-benzoyl)oxyacetyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C23H27N3O7 MolecularWeight: 457.47638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C

InChI

InChI=1S/C23H27N3O7/c1-4-32-23(29)20-14(2)21(24-15(20)3)19(27)13-33-22(28)16-8-9-17(18(12-16)26(30)31)25-10-6-5-7-11-25/h8-9,12,24H,4-7,10-11,13H2,1-3H3