4-[bis(azanyl)methylideneamino]butyl benzoate

Systemtic Name: 4-[bis(azanyl)methylideneamino]butyl benzoate Openeye Name: 4-guanidinobutyl benzoate CAS Name: benzoic acid 4-(diaminomethylideneamino)butyl ester IUPAC Name: 4-(diaminomethylideneamino)butyl benzoate Traditional Name: benzoic acid 4-guanidinobutyl ester Formula: C12H17N3O2 MolecularWeight: 235.28228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O2/c13-12(14)15-8-4-5-9-17-11(16)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H4,13,14,15)