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

Systemtic Name: [2-[[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxidanylidene-ethyl] 4-chloranyl-1H-pyrrole-2-carboxylate Openeye Name: [2-[[3-cyano-1-(2-furylmethyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxo-ethyl] 4-chloro-1H-pyrrole-2-carboxylate CAS Name: 4-chloro-1H-pyrrole-2-carboxylic 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-chloro-1H-pyrrole-2-carboxylate Traditional Name: 4-chloro-1H-pyrrole-2-carboxylic acid [2-[[3-cyano-1-(2-furfuryl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-keto-ethyl] ester Formula: C19H17ClN4O4 MolecularWeight: 400.81568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)C2=CC(=CN2)Cl)CC3=CC=CO3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)C2=CC(=CN2)Cl)CC3=CC=CO3)C

InChI

InChI=1S/C19H17ClN4O4/c1-11-12(2)24(9-14-4-3-5-27-14)18(15(11)7-21)23-17(25)10-28-19(26)16-6-13(20)8-22-16/h3-6,8,22H,9-10H2,1-2H3,(H,23,25)