2-[bis(azanyl)methylideneamino]ethyl 3,4,5-trimethoxybenzoate

Systemtic Name: 2-[bis(azanyl)methylideneamino]ethyl 3,4,5-trimethoxybenzoate Openeye Name: 2-guanidinoethyl 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid 2-(diaminomethylideneamino)ethyl ester IUPAC Name: 2-(diaminomethylideneamino)ethyl 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid 2-guanidinoethyl ester Formula: C13H19N3O5 MolecularWeight: 297.30706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OCCN=C(N)N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OCCN=C(N)N

InChI

InChI=1S/C13H19N3O5/c1-18-9-6-8(7-10(19-2)11(9)20-3)12(17)21-5-4-16-13(14)15/h6-7H,4-5H2,1-3H3,(H4,14,15,16)