(4-nitrophenyl)methyl (E)-3-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoate

Systemtic Name: (4-nitrophenyl)methyl (E)-3-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoate Openeye Name: (4-nitrophenyl)methyl (E)-3-[1-(2-furylmethyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoate CAS Name: (E)-3-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-propenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (E)-3-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoate Traditional Name: (E)-3-[1-(2-furfuryl)-2,5-dimethyl-pyrrol-3-yl]acrylic acid (4-nitrobenzyl) ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CO2)C)C=CC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CO2)C)/C=C/C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O5/c1-15-12-18(16(2)22(15)13-20-4-3-11-27-20)7-10-21(24)28-14-17-5-8-19(9-6-17)23(25)26/h3-12H,13-14H2,1-2H3/b10-7+