methyl 4-[2-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethoxy]-3-nitro-benzoate

Systemtic Name: methyl 4-[2-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-[1-(2-furylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-[1-(2-furfuryl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C21H20N2O7 MolecularWeight: 412.3927

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)COC3=C(C=C(C=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)COC3=C(C=C(C=C3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O7/c1-13-9-17(14(2)22(13)11-16-5-4-8-29-16)19(24)12-30-20-7-6-15(21(25)28-3)10-18(20)23(26)27/h4-10H,11-12H2,1-3H3