methyl 3-azanyl-4-[2-(2-oxidanylideneimidazolidin-1-yl)ethoxy]benzoate

Systemtic Name: methyl 3-azanyl-4-[2-(2-oxidanylideneimidazolidin-1-yl)ethoxy]benzoate Openeye Name: methyl 3-amino-4-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoate CAS Name: 3-amino-4-[2-(2-oxo-1-imidazolidinyl)ethoxy]benzoic acid methyl ester IUPAC Name: methyl 3-amino-4-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoate Traditional Name: 3-amino-4-[2-(2-ketoimidazolidin-1-yl)ethoxy]benzoic acid methyl ester Formula: C13H17N3O4 MolecularWeight: 279.29178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OCCN2CCNC2=O)N

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)OCCN2CCNC2=O)N

InChI

InChI=1S/C13H17N3O4/c1-19-12(17)9-2-3-11(10(14)8-9)20-7-6-16-5-4-15-13(16)18/h2-3,8H,4-7,14H2,1H3,(H,15,18)