[(2S)-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl] 2-azanyl-5-nitro-benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl] 2-azanyl-5-nitro-benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl] 2-amino-5-nitro-benzoate CAS Name: 2-amino-5-nitrobenzoic acid [(2S)-1-oxo-1-(1-pyrrolidinyl)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-amino-5-nitrobenzoate Traditional Name: 2-amino-5-nitro-benzoic acid [(1S)-2-keto-1-methyl-2-pyrrolidino-ethyl] ester Formula: C14H17N3O5 MolecularWeight: 307.30188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O5/c1-9(13(18)16-6-2-3-7-16)22-14(19)11-8-10(17(20)21)4-5-12(11)15/h4-5,8-9H,2-3,6-7,15H2,1H3/t9-/m0/s1