[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxidanylidene-ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxidanylidene-ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate Openeye Name: [2-[[(1S)-1,2-dimethylpropyl]amino]-2-oxo-ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate CAS Name: 5-nitro-2-(1-pyrrolidinyl)benzoic acid [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 5-nitro-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-nitro-2-pyrrolidino-benzoic acid [2-[[(1S)-1,2-dimethylpropyl]amino]-2-keto-ethyl] ester Formula: C18H25N3O5 MolecularWeight: 363.4082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)NC(=O)COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCCC2

Isomeric SMILES

C[C@@H](C(C)C)NC(=O)COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCCC2

InChI

InChI=1S/C18H25N3O5/c1-12(2)13(3)19-17(22)11-26-18(23)15-10-14(21(24)25)6-7-16(15)20-8-4-5-9-20/h6-7,10,12-13H,4-5,8-9,11H2,1-3H3,(H,19,22)/t13-/m0/s1