(2S)-1-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-methoxy-2-nitro-phenoxy)propan-1-one

Systemtic Name: (2S)-1-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-methoxy-2-nitro-phenoxy)propan-1-one Openeye Name: (2S)-1-[1-(2-furylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-methoxy-2-nitro-phenoxy)propan-1-one CAS Name: (2S)-1-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-(4-methoxy-2-nitrophenoxy)-1-propanone IUPAC Name: (2S)-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-(4-methoxy-2-nitrophenoxy)propan-1-one Traditional Name: (2S)-1-[1-(2-furfuryl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-methoxy-2-nitro-phenoxy)propan-1-one Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)C(C)OC3=C(C=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)[C@H](C)OC3=C(C=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O6/c1-13-10-18(14(2)22(13)12-17-6-5-9-28-17)21(24)15(3)29-20-8-7-16(27-4)11-19(20)23(25)26/h5-11,15H,12H2,1-4H3/t15-/m0/s1