[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(5-phenylfuran-2-yl)propanoate

Systemtic Name: [2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(5-phenylfuran-2-yl)propanoate Openeye Name: [2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl] 3-(5-phenyl-2-furyl)propanoate CAS Name: 3-(5-phenyl-2-furanyl)propanoic acid [2-(2-methyl-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-5-nitroanilino)-2-oxoethyl] 3-(5-phenylfuran-2-yl)propanoate Traditional Name: 3-(5-phenyl-2-furyl)propionic acid [2-keto-2-(2-methyl-5-nitro-anilino)ethyl] ester Formula: C22H20N2O6 MolecularWeight: 408.404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)CCC2=CC=C(O2)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)CCC2=CC=C(O2)C3=CC=CC=C3

InChI

InChI=1S/C22H20N2O6/c1-15-7-8-17(24(27)28)13-19(15)23-21(25)14-29-22(26)12-10-18-9-11-20(30-18)16-5-3-2-4-6-16/h2-9,11,13H,10,12,14H2,1H3,(H,23,25)