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

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-methyl-3-nitro-benzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C13H12N2O5 MolecularWeight: 276.24478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NCC#C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NCC#C)[N+](=O)[O-]

InChI

InChI=1S/C13H12N2O5/c1-3-6-14-12(16)8-20-13(17)10-5-4-9(2)11(7-10)15(18)19/h1,4-5,7H,6,8H2,2H3,(H,14,16)