[2-[[2,6-bis(bromanyl)-4-nitro-phenyl]amino]-2-oxidanylidene-ethyl] 3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-[[2,6-bis(bromanyl)-4-nitro-phenyl]amino]-2-oxidanylidene-ethyl] 3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-(2,6-dibromo-4-nitro-anilino)-2-oxo-ethyl] 3-methylbenzofuran-2-carboxylate CAS Name: 3-methyl-2-benzofurancarboxylic acid [2-(2,6-dibromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dibromo-4-nitroanilino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate Traditional Name: 3-methylcoumarilic acid [2-(2,6-dibromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C18H12Br2N2O6 MolecularWeight: 512.10568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)OCC(=O)NC3=C(C=C(C=C3Br)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)OCC(=O)NC3=C(C=C(C=C3Br)[N+](=O)[O-])Br

InChI

InChI=1S/C18H12Br2N2O6/c1-9-11-4-2-3-5-14(11)28-17(9)18(24)27-8-15(23)21-16-12(19)6-10(22(25)26)7-13(16)20/h2-7H,8H2,1H3,(H,21,23)