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

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-ethoxy-3-nitro-benzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-3-nitrobenzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C14H14N2O6 MolecularWeight: 306.27076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)NCC#C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)NCC#C)[N+](=O)[O-]

InChI

InChI=1S/C14H14N2O6/c1-3-7-15-13(17)9-22-14(18)10-5-6-12(21-4-2)11(8-10)16(19)20/h1,5-6,8H,4,7,9H2,2H3,(H,15,17)