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

Systemtic Name: [2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-(5-phenylfuran-2-yl)propanoate Openeye Name: [2-(3-nitroanilino)-2-oxo-ethyl] 3-(5-phenyl-2-furyl)propanoate CAS Name: 3-(5-phenyl-2-furanyl)propanoic acid [2-(3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-nitroanilino)-2-oxoethyl] 3-(5-phenylfuran-2-yl)propanoate Traditional Name: 3-(5-phenyl-2-furyl)propionic acid [2-keto-2-(3-nitroanilino)ethyl] ester Formula: C21H18N2O6 MolecularWeight: 394.37742

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(O2)CCC(=O)OCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(O2)CCC(=O)OCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O6/c24-20(22-16-7-4-8-17(13-16)23(26)27)14-28-21(25)12-10-18-9-11-19(29-18)15-5-2-1-3-6-15/h1-9,11,13H,10,12,14H2,(H,22,24)