[1,2-bis(4-methylphenyl)-2-oxidanylidene-ethyl] 5-nitrofuran-2-carboxylate

Systemtic Name: [1,2-bis(4-methylphenyl)-2-oxidanylidene-ethyl] 5-nitrofuran-2-carboxylate Openeye Name: [2-oxo-1,2-bis(p-tolyl)ethyl] 5-nitrofuran-2-carboxylate CAS Name: 5-nitro-2-furancarboxylic acid [1,2-bis(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [1,2-bis(4-methylphenyl)-2-oxoethyl] 5-nitrofuran-2-carboxylate Traditional Name: 5-nitrofuran-2-carboxylic acid [2-keto-1,2-bis(p-tolyl)ethyl] ester Formula: C21H17NO6 MolecularWeight: 379.36278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)C)OC(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)C)OC(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C21H17NO6/c1-13-3-7-15(8-4-13)19(23)20(16-9-5-14(2)6-10-16)28-21(24)17-11-12-18(27-17)22(25)26/h3-12,20H,1-2H3