[2-[[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxidanylidene-ethyl] 4-fluoranylbenzoate

Systemtic Name: [2-[[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxidanylidene-ethyl] 4-fluoranylbenzoate Openeye Name: [2-[[3-cyano-1-(2-furylmethyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxo-ethyl] 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [2-[[3-cyano-1-(2-furanylmethyl)-4,5-dimethyl-2-pyrrolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]amino]-2-oxoethyl] 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [2-[[3-cyano-1-(2-furfuryl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-keto-ethyl] ester Formula: C21H18FN3O4 MolecularWeight: 395.383723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)C2=CC=C(C=C2)F)CC3=CC=CO3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)C2=CC=C(C=C2)F)CC3=CC=CO3)C

InChI

InChI=1S/C21H18FN3O4/c1-13-14(2)25(11-17-4-3-9-28-17)20(18(13)10-23)24-19(26)12-29-21(27)15-5-7-16(22)8-6-15/h3-9H,11-12H2,1-2H3,(H,24,26)