3-[bis(azanyl)methylideneamino]propyl benzoate; methane

Systemtic Name: 3-[bis(azanyl)methylideneamino]propyl benzoate; methane Openeye Name: 3-guanidinopropyl benzoate; methane CAS Name: benzoic acid 3-(diaminomethylideneamino)propyl ester; methane IUPAC Name: 3-(diaminomethylideneamino)propyl benzoate; methane Traditional Name: benzoic acid 3-guanidinopropyl ester; methane Formula: C12H19N3O2 MolecularWeight: 237.29816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15N3O2.CH4/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);1H4