4-[bis(azanyl)methylideneamino]butyl 3,4,5-tris(oxidanyl)benzoate

Systemtic Name: 4-[bis(azanyl)methylideneamino]butyl 3,4,5-tris(oxidanyl)benzoate Openeye Name: 4-guanidinobutyl 3,4,5-trihydroxybenzoate CAS Name: 3,4,5-trihydroxybenzoic acid 4-(diaminomethylideneamino)butyl ester IUPAC Name: 4-(diaminomethylideneamino)butyl 3,4,5-trihydroxybenzoate Traditional Name: 3,4,5-trihydroxybenzoic acid 4-guanidinobutyl ester Formula: C12H17N3O5 MolecularWeight: 283.28048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1O)O)O)C(=O)OCCCCN=C(N)N

Isomeric SMILES

C1=C(C=C(C(=C1O)O)O)C(=O)OCCCCN=C(N)N

InChI

InChI=1S/C12H17N3O5/c13-12(14)15-3-1-2-4-20-11(19)7-5-8(16)10(18)9(17)6-7/h5-6,16-18H,1-4H2,(H4,13,14,15)