[2-(cyclopropylcarbamoylamino)-2-oxidanylidene-ethyl] 4-chloranyl-2-nitro-benzoate

Systemtic Name: [2-(cyclopropylcarbamoylamino)-2-oxidanylidene-ethyl] 4-chloranyl-2-nitro-benzoate Openeye Name: [2-(cyclopropylcarbamoylamino)-2-oxo-ethyl] 4-chloro-2-nitro-benzoate CAS Name: 4-chloro-2-nitrobenzoic acid [2-[[(cyclopropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 4-chloro-2-nitrobenzoate Traditional Name: 4-chloro-2-nitro-benzoic acid [2-(cyclopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C13H12ClN3O6 MolecularWeight: 341.70388

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)NC(=O)COC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC(=O)NC(=O)COC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H12ClN3O6/c14-7-1-4-9(10(5-7)17(21)22)12(19)23-6-11(18)16-13(20)15-8-2-3-8/h1,4-5,8H,2-3,6H2,(H2,15,16,18,20)