[(2R)-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl] 4-azanyl-3-nitro-benzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl] 4-azanyl-3-nitro-benzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [(2R)-1-oxo-1-(1-pyrrolidinyl)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [(1R)-2-keto-1-methyl-2-pyrrolidino-ethyl] ester Formula: C14H17N3O5 MolecularWeight: 307.30188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)OC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)N1CCCC1)OC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

InChI

InChI=1S/C14H17N3O5/c1-9(13(18)16-6-2-3-7-16)22-14(19)10-4-5-11(15)12(8-10)17(20)21/h4-5,8-9H,2-3,6-7,15H2,1H3/t9-/m1/s1