[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-(methylamino)-5-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-(methylamino)-5-nitro-benzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-(methylamino)-5-nitro-benzoate CAS Name: 2-(methylamino)-5-nitrobenzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-(methylamino)-5-nitrobenzoate Traditional Name: 2-(methylamino)-5-nitro-benzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C13H13N3O5 MolecularWeight: 291.25942

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)NCC#C

Isomeric SMILES

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)NCC#C

InChI

InChI=1S/C13H13N3O5/c1-3-6-15-12(17)8-21-13(18)10-7-9(16(19)20)4-5-11(10)14-2/h1,4-5,7,14H,6,8H2,2H3,(H,15,17)