[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-(6,7-dimethyl-1-benzofuran-3-yl)ethanoate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-(6,7-dimethyl-1-benzofuran-3-yl)ethanoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 2-(6,7-dimethylbenzofuran-3-yl)acetate CAS Name: 2-(6,7-dimethyl-3-benzofuranyl)acetic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate Traditional Name: 2-(6,7-dimethylbenzofuran-3-yl)acetic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C21H19NO6 MolecularWeight: 381.37866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CO2)CC(=O)OCC(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CO2)CC(=O)OCC(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-])C

InChI

InChI=1S/C21H19NO6/c1-12-5-7-17-16(10-28-21(17)14(12)3)9-20(24)27-11-19(23)15-6-4-13(2)18(8-15)22(25)26/h4-8,10H,9,11H2,1-3H3