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

Systemtic Name: [2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(6-ethyl-1-benzofuran-3-yl)ethanoate Openeye Name: [2-(2,3-dimethyl-6-nitro-anilino)-2-oxo-ethyl] 2-(6-ethylbenzofuran-3-yl)acetate CAS Name: 2-(6-ethyl-3-benzofuranyl)acetic acid [2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate Traditional Name: 2-(6-ethylbenzofuran-3-yl)acetic acid [2-(2,3-dimethyl-6-nitro-anilino)-2-keto-ethyl] ester Formula: C22H22N2O6 MolecularWeight: 410.41988

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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(=C3C)C)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CO2)CC(=O)OCC(=O)NC3=C(C=CC(=C3C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H22N2O6/c1-4-15-6-7-17-16(11-29-19(17)9-15)10-21(26)30-12-20(25)23-22-14(3)13(2)5-8-18(22)24(27)28/h5-9,11H,4,10,12H2,1-3H3,(H,23,25)