[1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] 4-(methylamino)-3-nitro-benzoate

Systemtic Name: [1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] 4-(methylamino)-3-nitro-benzoate Openeye Name: [2-(isopropylcarbamoylamino)-1-methyl-2-oxo-ethyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [1-oxo-1-[[oxo-(propan-2-ylamino)methyl]amino]propan-2-yl] ester IUPAC Name: [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [2-(isopropylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C15H20N4O6 MolecularWeight: 352.3425

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N4O6/c1-8(2)17-15(22)18-13(20)9(3)25-14(21)10-5-6-11(16-4)12(7-10)19(23)24/h5-9,16H,1-4H3,(H2,17,18,20,22)