(2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid (2-amino-2-keto-1-phenyl-ethyl) ester Formula: C19H19N3O5 MolecularWeight: 369.37126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O5/c20-18(23)17(13-6-2-1-3-7-13)27-19(24)14-8-9-15(16(12-14)22(25)26)21-10-4-5-11-21/h1-3,6-9,12,17H,4-5,10-11H2,(H2,20,23)