[2-oxidanylidene-2-[[2-oxidanylidene-2-(propan-2-ylamino)ethyl]amino]ethyl] 2-(methylamino)-5-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[[2-oxidanylidene-2-(propan-2-ylamino)ethyl]amino]ethyl] 2-(methylamino)-5-nitro-benzoate Openeye Name: [2-[[2-(isopropylamino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 2-(methylamino)-5-nitro-benzoate CAS Name: 2-(methylamino)-5-nitrobenzoic acid [2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 2-(methylamino)-5-nitrobenzoate Traditional Name: 2-(methylamino)-5-nitro-benzoic acid [2-[[2-(isopropylamino)-2-keto-ethyl]amino]-2-keto-ethyl] ester Formula: C15H20N4O6 MolecularWeight: 352.3425

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N4O6/c1-9(2)18-13(20)7-17-14(21)8-25-15(22)11-6-10(19(23)24)4-5-12(11)16-3/h4-6,9,16H,7-8H2,1-3H3,(H,17,21)(H,18,20)