[(2S)-1-(cyclopentylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-chloranyl-2-nitro-benzoate

Systemtic Name: [(2S)-1-(cyclopentylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-chloranyl-2-nitro-benzoate Openeye Name: [(1S)-2-(cyclopentylcarbamoylamino)-1-methyl-2-oxo-ethyl] 4-chloro-2-nitro-benzoate CAS Name: 4-chloro-2-nitrobenzoic acid [(2S)-1-[[(cyclopentylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4-chloro-2-nitrobenzoate Traditional Name: 4-chloro-2-nitro-benzoic acid [(1S)-2-(cyclopentylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H18ClN3O6 MolecularWeight: 383.78362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CCCC1)OC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC1CCCC1)OC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H18ClN3O6/c1-9(14(21)19-16(23)18-11-4-2-3-5-11)26-15(22)12-7-6-10(17)8-13(12)20(24)25/h6-9,11H,2-5H2,1H3,(H2,18,19,21,23)/t9-/m0/s1