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

Systemtic Name: methyl 2,4-dimethyl-5-[2-(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonyloxyethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[2-(3-nitro-4-pyrrolidin-1-yl-benzoyl)oxyacetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[2-[[3-nitro-4-(1-pyrrolidinyl)phenyl]-oxomethoxy]-1-oxoethyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[2-(3-nitro-4-pyrrolidin-1-ylbenzoyl)oxyacetyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-(3-nitro-4-pyrrolidino-benzoyl)oxyacetyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C21H23N3O7 MolecularWeight: 429.42322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)COC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)COC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O7/c1-12-18(21(27)30-3)13(2)22-19(12)17(25)11-31-20(26)14-6-7-15(16(10-14)24(28)29)23-8-4-5-9-23/h6-7,10,22H,4-5,8-9,11H2,1-3H3