(4-aminocarbonylphenyl)methyl 5-nitro-2-pyrrolidin-1-yl-benzoate

Systemtic Name: (4-aminocarbonylphenyl)methyl 5-nitro-2-pyrrolidin-1-yl-benzoate Openeye Name: (4-carbamoylphenyl)methyl 5-nitro-2-pyrrolidin-1-yl-benzoate CAS Name: 5-nitro-2-(1-pyrrolidinyl)benzoic acid (4-carbamoylphenyl)methyl ester IUPAC Name: (4-carbamoylphenyl)methyl 5-nitro-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-nitro-2-pyrrolidino-benzoic acid (4-carbamoylbenzyl) ester Formula: C19H19N3O5 MolecularWeight: 369.37126

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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=C(C=C3)C(=O)N

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C19H19N3O5/c20-18(23)14-5-3-13(4-6-14)12-27-19(24)16-11-15(22(25)26)7-8-17(16)21-9-1-2-10-21/h3-8,11H,1-2,9-10,12H2,(H2,20,23)