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

Systemtic Name: [1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: [2-(isopropylcarbamoylamino)-1-methyl-2-oxo-ethyl] 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-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-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid [2-(isopropylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H22N4O6 MolecularWeight: 378.37978

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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)NC2CC2)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=O)NC(=O)C(C)OC(=O)C1=CC(=C(C=C1)NC2CC2)[N+](=O)[O-]

InChI

InChI=1S/C17H22N4O6/c1-9(2)18-17(24)20-15(22)10(3)27-16(23)11-4-7-13(19-12-5-6-12)14(8-11)21(25)26/h4,7-10,12,19H,5-6H2,1-3H3,(H2,18,20,22,24)