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

Systemtic Name: [2-[(4-ethoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-(4-ethoxy-2-nitro-anilino)-2-oxo-ethyl] 5-chloro-3-methyl-benzofuran-2-carboxylate CAS Name: 5-chloro-3-methyl-2-benzofurancarboxylic acid [2-(4-ethoxy-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxy-2-nitroanilino)-2-oxoethyl] 5-chloro-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-chloro-3-methyl-coumarilic acid [2-(4-ethoxy-2-nitro-anilino)-2-keto-ethyl] ester Formula: C20H17ClN2O7 MolecularWeight: 432.81118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)COC(=O)C2=C(C3=C(O2)C=CC(=C3)Cl)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)COC(=O)C2=C(C3=C(O2)C=CC(=C3)Cl)C)[N+](=O)[O-]

InChI

InChI=1S/C20H17ClN2O7/c1-3-28-13-5-6-15(16(9-13)23(26)27)22-18(24)10-29-20(25)19-11(2)14-8-12(21)4-7-17(14)30-19/h4-9H,3,10H2,1-2H3,(H,22,24)