[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [2-(allylcarbamoylamino)-2-oxo-ethyl] 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [2-(allylcarbamoylamino)-2-keto-ethyl] ester Formula: C15H17N3O8 MolecularWeight: 367.31078

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NC(=O)NCC=C)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NC(=O)NCC=C)[N+](=O)[O-])OC

InChI

InChI=1S/C15H17N3O8/c1-4-5-16-15(21)17-13(19)8-26-14(20)9-6-11(24-2)12(25-3)7-10(9)18(22)23/h4,6-7H,1,5,8H2,2-3H3,(H2,16,17,19,21)