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

Systemtic Name: [2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: [2-(isobutylcarbamoylamino)-2-oxo-ethyl] 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid [2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid [2-(isobutylcarbamoylamino)-2-keto-ethyl] ester Formula: C18H24N4O7 MolecularWeight: 408.40576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(=O)COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCOCC2

Isomeric SMILES

CC(C)CNC(=O)NC(=O)COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCOCC2

InChI

InChI=1S/C18H24N4O7/c1-12(2)10-19-18(25)20-16(23)11-29-17(24)14-9-13(22(26)27)3-4-15(14)21-5-7-28-8-6-21/h3-4,9,12H,5-8,10-11H2,1-2H3,(H2,19,20,23,25)