[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-nitrobenzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-nitrobenzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C12H10N2O5 MolecularWeight: 262.2182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N2O5/c1-2-7-13-11(15)8-19-12(16)9-5-3-4-6-10(9)14(17)18/h1,3-6H,7-8H2,(H,13,15)