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

Systemtic Name: (2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) 4-azanyl-3-nitro-benzoate Openeye Name: (2-oxo-2-pyrrolidin-1-yl-ethyl) 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [2-oxo-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: (2-oxo-2-pyrrolidin-1-ylethyl) 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid (2-keto-2-pyrrolidino-ethyl) ester Formula: C13H15N3O5 MolecularWeight: 293.2753

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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