[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate CAS Name: 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate Traditional Name: 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propionic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C20H18N4O6 MolecularWeight: 410.38012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)CCC2=NC(=NO2)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)CCC2=NC(=NO2)C3=CC=CC=C3

InChI

InChI=1S/C20H18N4O6/c1-13(20(26)21-15-8-5-9-16(12-15)24(27)28)29-18(25)11-10-17-22-19(23-30-17)14-6-3-2-4-7-14/h2-9,12-13H,10-11H2,1H3,(H,21,26)