[2-(2,5-dimethyl-1-pyridin-2-yl-pyrrol-3-yl)-2-oxidanylidene-ethyl] (E)-3-(5-nitrofuran-2-yl)prop-2-enoate

Systemtic Name: [2-(2,5-dimethyl-1-pyridin-2-yl-pyrrol-3-yl)-2-oxidanylidene-ethyl] (E)-3-(5-nitrofuran-2-yl)prop-2-enoate Openeye Name: [2-[2,5-dimethyl-1-(2-pyridyl)pyrrol-3-yl]-2-oxo-ethyl] (E)-3-(5-nitro-2-furyl)prop-2-enoate CAS Name: (E)-3-(5-nitro-2-furanyl)-2-propenoic acid [2-[2,5-dimethyl-1-(2-pyridinyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-2-oxoethyl] (E)-3-(5-nitrofuran-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-nitro-2-furyl)acrylic acid [2-[2,5-dimethyl-1-(2-pyridyl)pyrrol-3-yl]-2-keto-ethyl] ester Formula: C20H17N3O6 MolecularWeight: 395.36548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=N2)C)C(=O)COC(=O)C=CC3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=N2)C)C(=O)COC(=O)/C=C/C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O6/c1-13-11-16(14(2)22(13)18-5-3-4-10-21-18)17(24)12-28-20(25)9-7-15-6-8-19(29-15)23(26)27/h3-11H,12H2,1-2H3/b9-7+