[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate Openeye Name: [2-[[(1S)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate CAS Name: 5-nitro-2-(1-pyrrolidinyl)benzoic acid [2-[[[[(2S)-butan-2-yl]amino]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 5-nitro-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-nitro-2-pyrrolidino-benzoic acid [2-keto-2-[[(1S)-1-methylpropyl]carbamoylamino]ethyl] ester Formula: C18H24N4O6 MolecularWeight: 392.40636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O6/c1-3-12(2)19-18(25)20-16(23)11-28-17(24)14-10-13(22(26)27)6-7-15(14)21-8-4-5-9-21/h6-7,10,12H,3-5,8-9,11H2,1-2H3,(H2,19,20,23,25)/t12-/m0/s1