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

Systemtic Name: [2-[[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxidanylidene-ethyl] 2-azanyl-3-chloranyl-benzoate Openeye Name: [2-[[3-cyano-1-(2-furylmethyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxo-ethyl] 2-amino-3-chloro-benzoate CAS Name: 2-amino-3-chlorobenzoic 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] 2-amino-3-chlorobenzoate Traditional Name: 2-amino-3-chloro-benzoic acid [2-[[3-cyano-1-(2-furfuryl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-keto-ethyl] ester Formula: C21H19ClN4O4 MolecularWeight: 426.85296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN4O4/c1-12-13(2)26(10-14-5-4-8-29-14)20(16(12)9-23)25-18(27)11-30-21(28)15-6-3-7-17(22)19(15)24/h3-8H,10-11,24H2,1-2H3,(H,25,27)