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

Systemtic Name: [(2S)-1-(cyclopropylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-chloranyl-2-nitro-benzoate Openeye Name: [(1S)-2-(cyclopropylcarbamoylamino)-1-methyl-2-oxo-ethyl] 4-chloro-2-nitro-benzoate CAS Name: 4-chloro-2-nitrobenzoic acid [(2S)-1-[[(cyclopropylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 4-chloro-2-nitrobenzoate Traditional Name: 4-chloro-2-nitro-benzoic acid [(1S)-2-(cyclopropylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C14H14ClN3O6 MolecularWeight: 355.73046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CC1)OC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC1CC1)OC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H14ClN3O6/c1-7(12(19)17-14(21)16-9-3-4-9)24-13(20)10-5-2-8(15)6-11(10)18(22)23/h2,5-7,9H,3-4H2,1H3,(H2,16,17,19,21)/t7-/m0/s1