[2-[1-(2-methylphenyl)ethylamino]-2-oxidanylidene-ethyl] 5-(4-nitrophenyl)furan-2-carboxylate

Systemtic Name: [2-[1-(2-methylphenyl)ethylamino]-2-oxidanylidene-ethyl] 5-(4-nitrophenyl)furan-2-carboxylate Openeye Name: [2-[1-(o-tolyl)ethylamino]-2-oxo-ethyl] 5-(4-nitrophenyl)furan-2-carboxylate CAS Name: 5-(4-nitrophenyl)-2-furancarboxylic acid [2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl] 5-(4-nitrophenyl)furan-2-carboxylate Traditional Name: 5-(4-nitrophenyl)furan-2-carboxylic acid [2-keto-2-[1-(o-tolyl)ethylamino]ethyl] ester Formula: C22H20N2O6 MolecularWeight: 408.404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C)NC(=O)COC(=O)C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(C)NC(=O)COC(=O)C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H20N2O6/c1-14-5-3-4-6-18(14)15(2)23-21(25)13-29-22(26)20-12-11-19(30-20)16-7-9-17(10-8-16)24(27)28/h3-12,15H,13H2,1-2H3,(H,23,25)