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

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: (2-amino-2-oxo-ethyl) 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-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)C(=O)OCC(=O)N)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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