4-[bis(azanyl)methylideneamino]butyl 2-oxidanylbenzoate; methane

Systemtic Name: 4-[bis(azanyl)methylideneamino]butyl 2-oxidanylbenzoate; methane Openeye Name: 4-guanidinobutyl 2-hydroxybenzoate; methane CAS Name: 2-hydroxybenzoic acid 4-(diaminomethylideneamino)butyl ester; methane IUPAC Name: 4-(diaminomethylideneamino)butyl 2-hydroxybenzoate; methane Traditional Name: 2-hydroxybenzoic acid 4-guanidinobutyl ester; methane Formula: C13H21N3O3 MolecularWeight: 267.32414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O3.CH4/c13-12(14)15-7-3-4-8-18-11(17)9-5-1-2-6-10(9)16;/h1-2,5-6,16H,3-4,7-8H2,(H4,13,14,15);1H4