[2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)ethanoate

Systemtic Name: [2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)ethanoate Openeye Name: [2-(4,5-dimethyl-2-nitro-anilino)-2-oxo-ethyl] 2-(5,6-dimethylbenzofuran-3-yl)acetate CAS Name: 2-(5,6-dimethyl-3-benzofuranyl)acetic acid [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate Traditional Name: 2-(5,6-dimethylbenzofuran-3-yl)acetic acid [2-(4,5-dimethyl-2-nitro-anilino)-2-keto-ethyl] ester Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)COC(=O)CC2=COC3=CC(=C(C=C32)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)COC(=O)CC2=COC3=CC(=C(C=C32)C)C

InChI

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