(2-azanyl-2-oxidanylidene-ethyl) 5-nitro-2-pyrrolidin-1-yl-benzoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 5-nitro-2-pyrrolidin-1-yl-benzoate Openeye Name: (2-amino-2-oxo-ethyl) 5-nitro-2-pyrrolidin-1-yl-benzoate CAS Name: 5-nitro-2-(1-pyrrolidinyl)benzoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 5-nitro-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-nitro-2-pyrrolidino-benzoic acid (2-amino-2-keto-ethyl) ester Formula: C13H15N3O5 MolecularWeight: 293.2753

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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)N

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)N

InChI

InChI=1S/C13H15N3O5/c14-12(17)8-21-13(18)10-7-9(16(19)20)3-4-11(10)15-5-1-2-6-15/h3-4,7H,1-2,5-6,8H2,(H2,14,17)