[2-[(2-fluorophenyl)carbamoylamino]-2-oxidanylidene-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-[(2-fluorophenyl)carbamoylamino]-2-oxidanylidene-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [2-[(2-fluorophenyl)carbamoylamino]-2-oxo-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [2-[[(2-fluoroanilino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid [2-[(2-fluorophenyl)carbamoylamino]-2-keto-ethyl] ester Formula: C20H19FN4O6 MolecularWeight: 430.386463

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC(=O)NC3=CC=CC=C3F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC(=O)NC3=CC=CC=C3F)[N+](=O)[O-]

InChI

InChI=1S/C20H19FN4O6/c21-14-5-1-2-6-15(14)22-20(28)23-18(26)12-31-19(27)13-7-8-16(17(11-13)25(29)30)24-9-3-4-10-24/h1-2,5-8,11H,3-4,9-10,12H2,(H2,22,23,26,28)