[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 3-nitrobenzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 3-nitrobenzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 3-nitrobenzoate Traditional Name: 3-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/c1-2-6-13-11(15)8-19-12(16)9-4-3-5-10(7-9)14(17)18/h1,3-5,7H,6,8H2,(H,13,15)