[2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 7-chloranyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 7-chloranyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-(4-methyl-2-nitro-anilino)-2-oxo-ethyl] 7-chloro-3-methyl-benzofuran-2-carboxylate CAS Name: 7-chloro-3-methyl-2-benzofurancarboxylic acid [2-(4-methyl-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-2-nitroanilino)-2-oxoethyl] 7-chloro-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 7-chloro-3-methyl-coumarilic acid [2-keto-2-(4-methyl-2-nitro-anilino)ethyl] ester Formula: C19H15ClN2O6 MolecularWeight: 402.7852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=C(C3=C(O2)C(=CC=C3)Cl)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=C(C3=C(O2)C(=CC=C3)Cl)C)[N+](=O)[O-]

InChI

InChI=1S/C19H15ClN2O6/c1-10-6-7-14(15(8-10)22(25)26)21-16(23)9-27-19(24)17-11(2)12-4-3-5-13(20)18(12)28-17/h3-8H,9H2,1-2H3,(H,21,23)