[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C14H14N2O7 MolecularWeight: 322.27016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NCC#C)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NCC#C)[N+](=O)[O-])OC

InChI

InChI=1S/C14H14N2O7/c1-4-5-15-13(17)8-23-14(18)9-6-11(21-2)12(22-3)7-10(9)16(19)20/h1,6-7H,5,8H2,2-3H3,(H,15,17)