[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 5-chloranyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 5-chloranyl-1-benzofuran-2-carboxylate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 5-chlorobenzofuran-2-carboxylate CAS Name: 5-chloro-2-benzofurancarboxylic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 5-chloro-1-benzofuran-2-carboxylate Traditional Name: 5-chlorocoumarilic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C18H12ClNO6 MolecularWeight: 373.74398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC3=C(O2)C=CC(=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC3=C(O2)C=CC(=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H12ClNO6/c1-10-2-3-11(7-14(10)20(23)24)15(21)9-25-18(22)17-8-12-6-13(19)4-5-16(12)26-17/h2-8H,9H2,1H3