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

Systemtic Name: [2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(6-methoxy-1-benzofuran-3-yl)ethanoate Openeye Name: [2-(4,5-dimethyl-2-nitro-anilino)-2-oxo-ethyl] 2-(6-methoxybenzofuran-3-yl)acetate CAS Name: 2-(6-methoxy-3-benzofuranyl)acetic acid [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate Traditional Name: 2-(6-methoxybenzofuran-3-yl)acetic acid [2-(4,5-dimethyl-2-nitro-anilino)-2-keto-ethyl] ester Formula: C21H20N2O7 MolecularWeight: 412.3927

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)COC(=O)CC2=COC3=C2C=CC(=C3)OC

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)COC(=O)CC2=COC3=C2C=CC(=C3)OC

InChI

InChI=1S/C21H20N2O7/c1-12-6-17(18(23(26)27)7-13(12)2)22-20(24)11-30-21(25)8-14-10-29-19-9-15(28-3)4-5-16(14)19/h4-7,9-10H,8,11H2,1-3H3,(H,22,24)