[2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(dimethylamino)-3-nitro-benzoate

Systemtic Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(dimethylamino)-3-nitro-benzoate Openeye Name: [2-(2-furylmethylcarbamoylamino)-2-oxo-ethyl] 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid [2-[[(2-furanylmethylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid [2-(2-furfurylcarbamoylamino)-2-keto-ethyl] ester Formula: C17H18N4O7 MolecularWeight: 390.34742

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)NCC2=CC=CO2)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)NCC2=CC=CO2)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O7/c1-20(2)13-6-5-11(8-14(13)21(25)26)16(23)28-10-15(22)19-17(24)18-9-12-4-3-7-27-12/h3-8H,9-10H2,1-2H3,(H2,18,19,22,24)