[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl] 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylate

Systemtic Name: [2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl] 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylate Openeye Name: [2-(2-methylanilino)-2-oxo-ethyl] 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylate CAS Name: 4-cyano-2-methyl-5-(1-pyrrolyl)-3-furancarboxylic acid [2-(2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylanilino)-2-oxoethyl] 4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxylate Traditional Name: 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylic acid [2-keto-2-(o-toluidino)ethyl] ester Formula: C20H17N3O4 MolecularWeight: 363.36668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)COC(=O)C2=C(OC(=C2C#N)N3C=CC=C3)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)COC(=O)C2=C(OC(=C2C#N)N3C=CC=C3)C

InChI

InChI=1S/C20H17N3O4/c1-13-7-3-4-8-16(13)22-17(24)12-26-20(25)18-14(2)27-19(15(18)11-21)23-9-5-6-10-23/h3-10H,12H2,1-2H3,(H,22,24)