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

Systemtic Name: [2-oxidanylidene-2-(quinolin-5-ylamino)ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate Openeye Name: [2-oxo-2-(5-quinolylamino)ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate CAS Name: 5-nitro-2-(1-pyrrolidinyl)benzoic acid [2-oxo-2-(5-quinolinylamino)ethyl] ester IUPAC Name: [2-oxo-2-(quinolin-5-ylamino)ethyl] 5-nitro-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-nitro-2-pyrrolidino-benzoic acid [2-keto-2-(5-quinolylamino)ethyl] ester Formula: C22H20N4O5 MolecularWeight: 420.418

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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)NC3=CC=CC4=C3C=CC=N4

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NC3=CC=CC4=C3C=CC=N4

InChI

InChI=1S/C22H20N4O5/c27-21(24-19-7-3-6-18-16(19)5-4-10-23-18)14-31-22(28)17-13-15(26(29)30)8-9-20(17)25-11-1-2-12-25/h3-10,13H,1-2,11-12,14H2,(H,24,27)