[1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] 5-(2-nitrophenyl)furan-2-carboxylate

Systemtic Name: [1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] 5-(2-nitrophenyl)furan-2-carboxylate Openeye Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl] 5-(2-nitrophenyl)furan-2-carboxylate CAS Name: 5-(2-nitrophenyl)-2-furancarboxylic acid [1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 5-(2-nitrophenyl)furan-2-carboxylate Traditional Name: 5-(2-nitrophenyl)furan-2-carboxylic acid [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C22H20N2O7 MolecularWeight: 424.4034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)C(C)OC(=O)C2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)C(C)OC(=O)C2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C22H20N2O7/c1-11-19(13(3)25)12(2)23-20(11)21(26)14(4)30-22(27)18-10-9-17(31-18)15-7-5-6-8-16(15)24(28)29/h5-10,14,23H,1-4H3