[2-[ethyl-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]amino]-2-oxidanylidene-ethyl] 2-morpholin-4-yl-5-nitro-benzoate

Systemtic Name: [2-[ethyl-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]amino]-2-oxidanylidene-ethyl] 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: [2-[ethyl-[2-(isopropylamino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid [2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl] 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid [2-[ethyl-[2-(isopropylamino)-2-keto-ethyl]amino]-2-keto-ethyl] ester Formula: C20H28N4O7 MolecularWeight: 436.45892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O7/c1-4-22(12-18(25)21-14(2)3)19(26)13-31-20(27)16-11-15(24(28)29)5-6-17(16)23-7-9-30-10-8-23/h5-6,11,14H,4,7-10,12-13H2,1-3H3,(H,21,25)