[2-oxidanylidene-2-(phenylcarbamoylamino)ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-oxidanylidene-2-(phenylcarbamoylamino)ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate Openeye Name: [2-oxo-2-(phenylcarbamoylamino)ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate CAS Name: 5-nitro-2-(1-pyrrolidinyl)benzoic acid [2-[[anilino(oxo)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-oxo-2-(phenylcarbamoylamino)ethyl] 5-nitro-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-nitro-2-pyrrolidino-benzoic acid [2-keto-2-(phenylcarbamoylamino)ethyl] ester Formula: C20H20N4O6 MolecularWeight: 412.396

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NC(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H20N4O6/c25-18(22-20(27)21-14-6-2-1-3-7-14)13-30-19(26)16-12-15(24(28)29)8-9-17(16)23-10-4-5-11-23/h1-3,6-9,12H,4-5,10-11,13H2,(H2,21,22,25,27)