3-[bis(azanyl)methylideneamino]propyl benzoate

Systemtic Name: 3-[bis(azanyl)methylideneamino]propyl benzoate Openeye Name: 3-guanidinopropyl benzoate CAS Name: benzoic acid 3-(diaminomethylideneamino)propyl ester IUPAC Name: 3-(diaminomethylideneamino)propyl benzoate Traditional Name: benzoic acid 3-guanidinopropyl ester Formula: C11H15N3O2 MolecularWeight: 221.2557

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15N3O2/c12-11(13)14-7-4-8-16-10(15)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H4,12,13,14)