[3-[(2-cyanophenyl)amino]-3-oxidanylidene-propyl] 7-chloranyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [3-[(2-cyanophenyl)amino]-3-oxidanylidene-propyl] 7-chloranyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [3-(2-cyanoanilino)-3-oxo-propyl] 7-chloro-3-methyl-benzofuran-2-carboxylate CAS Name: 7-chloro-3-methyl-2-benzofurancarboxylic acid [3-(2-cyanoanilino)-3-oxopropyl] ester IUPAC Name: [3-(2-cyanoanilino)-3-oxopropyl] 7-chloro-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 7-chloro-3-methyl-coumarilic acid [3-(2-cyanoanilino)-3-keto-propyl] ester Formula: C20H15ClN2O4 MolecularWeight: 382.7971

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=CC=C2Cl)C(=O)OCCC(=O)NC3=CC=CC=C3C#N

Isomeric SMILES

CC1=C(OC2=C1C=CC=C2Cl)C(=O)OCCC(=O)NC3=CC=CC=C3C#N

InChI

InChI=1S/C20H15ClN2O4/c1-12-14-6-4-7-15(21)19(14)27-18(12)20(25)26-10-9-17(24)23-16-8-3-2-5-13(16)11-22/h2-8H,9-10H2,1H3,(H,23,24)