[2-(naphthalen-1-ylamino)-2-oxidanylidene-ethyl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-(naphthalen-1-ylamino)-2-oxidanylidene-ethyl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-(1-naphthylamino)-2-oxo-ethyl] 5-bromo-3-methyl-benzofuran-2-carboxylate CAS Name: 5-bromo-3-methyl-2-benzofurancarboxylic acid [2-(1-naphthalenylamino)-2-oxoethyl] ester IUPAC Name: [2-(naphthalen-1-ylamino)-2-oxoethyl] 5-bromo-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-methyl-coumarilic acid [2-keto-2-(1-naphthylamino)ethyl] ester Formula: C22H16BrNO4 MolecularWeight: 438.27074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC(=O)NC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC(=O)NC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H16BrNO4/c1-13-17-11-15(23)9-10-19(17)28-21(13)22(26)27-12-20(25)24-18-8-4-6-14-5-2-3-7-16(14)18/h2-11H,12H2,1H3,(H,24,25)