ethyl 3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propyl-carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propyl-carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[5-(2-furyl)-1,3,4-oxadiazol-2-yl]methyl-propyl-carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[5-(2-furanyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[[5-(2-furyl)-1,3,4-oxadiazol-2-yl]methyl-propyl-carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C20H20N4O7 MolecularWeight: 428.3954

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=NN=C(O1)C2=CC=CO2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCCN(CC1=NN=C(O1)C2=CC=CO2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C20H20N4O7/c1-3-7-23(12-17-21-22-18(31-17)16-6-5-8-30-16)19(25)13-9-14(20(26)29-4-2)11-15(10-13)24(27)28/h5-6,8-11H,3-4,7,12H2,1-2H3