quinolin-8-ylmethyl 5-nitro-2-pyrrolidin-1-yl-benzoate

Systemtic Name: quinolin-8-ylmethyl 5-nitro-2-pyrrolidin-1-yl-benzoate Openeye Name: 8-quinolylmethyl 5-nitro-2-pyrrolidin-1-yl-benzoate CAS Name: 5-nitro-2-(1-pyrrolidinyl)benzoic acid 8-quinolinylmethyl ester IUPAC Name: quinolin-8-ylmethyl 5-nitro-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-nitro-2-pyrrolidino-benzoic acid 8-quinolylmethyl ester Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C21H19N3O4/c25-21(28-14-16-6-3-5-15-7-4-10-22-20(15)16)18-13-17(24(26)27)8-9-19(18)23-11-1-2-12-23/h3-10,13H,1-2,11-12,14H2