[2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [2-(2-furylmethylcarbamoylamino)-2-oxo-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [2-[[(2-furanylmethylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid [2-(2-furfurylcarbamoylamino)-2-keto-ethyl] ester Formula: C19H20N4O7 MolecularWeight: 416.3847

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC(=O)NCC3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC(=O)NCC3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O7/c24-17(21-19(26)20-11-14-4-3-9-29-14)12-30-18(25)13-5-6-15(16(10-13)23(27)28)22-7-1-2-8-22/h3-6,9-10H,1-2,7-8,11-12H2,(H2,20,21,24,26)