[1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(5-phenylfuran-2-yl)propanoate

Systemtic Name: [1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(5-phenylfuran-2-yl)propanoate Openeye Name: [1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 3-(5-phenyl-2-furyl)propanoate CAS Name: 3-(5-phenyl-2-furanyl)propanoic acid [1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-nitroanilino)-1-oxopropan-2-yl] 3-(5-phenylfuran-2-yl)propanoate Traditional Name: 3-(5-phenyl-2-furyl)propionic acid [2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C22H20N2O6 MolecularWeight: 408.404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)CCC2=CC=C(O2)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)CCC2=CC=C(O2)C3=CC=CC=C3

InChI

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