[2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 2-morpholin-4-yl-5-nitro-benzoate

Systemtic Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: [2-(2-furylmethylcarbamoylamino)-2-oxo-ethyl] 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid [2-[[(2-furanylmethylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid [2-(2-furfurylcarbamoylamino)-2-keto-ethyl] ester Formula: C19H20N4O8 MolecularWeight: 432.3841

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NC(=O)NCC3=CC=CO3

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NC(=O)NCC3=CC=CO3

InChI

InChI=1S/C19H20N4O8/c24-17(21-19(26)20-11-14-2-1-7-30-14)12-31-18(25)15-10-13(23(27)28)3-4-16(15)22-5-8-29-9-6-22/h1-4,7,10H,5-6,8-9,11-12H2,(H2,20,21,24,26)