4-[bis(azanyl)methylideneamino]butyl benzoate; methane

Systemtic Name: 4-[bis(azanyl)methylideneamino]butyl benzoate; methane Openeye Name: 4-guanidinobutyl benzoate; methane CAS Name: benzoic acid 4-(diaminomethylideneamino)butyl ester; methane IUPAC Name: 4-(diaminomethylideneamino)butyl benzoate; methane Traditional Name: benzoic acid 4-guanidinobutyl ester; methane Formula: C13H21N3O2 MolecularWeight: 251.32474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O2.CH4/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);1H4