[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-chloranyl-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-chloranyl-3-nitro-benzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C12H9ClN2O5 MolecularWeight: 296.66326

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)COC(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

C#CCNC(=O)COC(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H9ClN2O5/c1-2-5-14-11(16)7-20-12(17)8-3-4-9(13)10(6-8)15(18)19/h1,3-4,6H,5,7H2,(H,14,16)