[2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(6-ethyl-1-benzofuran-3-yl)ethanoate

Systemtic Name: [2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(6-ethyl-1-benzofuran-3-yl)ethanoate Openeye Name: [2-(2-methyl-6-nitro-anilino)-2-oxo-ethyl] 2-(6-ethylbenzofuran-3-yl)acetate CAS Name: 2-(6-ethyl-3-benzofuranyl)acetic acid [2-(2-methyl-6-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-6-nitroanilino)-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate Traditional Name: 2-(6-ethylbenzofuran-3-yl)acetic acid [2-keto-2-(2-methyl-6-nitro-anilino)ethyl] ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CO2)CC(=O)OCC(=O)NC3=C(C=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CO2)CC(=O)OCC(=O)NC3=C(C=CC=C3[N+](=O)[O-])C

InChI

InChI=1S/C21H20N2O6/c1-3-14-7-8-16-15(11-28-18(16)9-14)10-20(25)29-12-19(24)22-21-13(2)5-4-6-17(21)23(26)27/h4-9,11H,3,10,12H2,1-2H3,(H,22,24)