ethyl 2-[2-[bis(azanyl)methylideneamino]ethoxy]benzoate; methane

Systemtic Name: ethyl 2-[2-[bis(azanyl)methylideneamino]ethoxy]benzoate; methane Openeye Name: ethyl 2-(2-guanidinoethoxy)benzoate; methane CAS Name: 2-[2-(diaminomethylideneamino)ethoxy]benzoic acid ethyl ester; methane IUPAC Name: ethyl 2-[2-(diaminomethylideneamino)ethoxy]benzoate; methane Traditional Name: 2-(2-guanidinoethoxy)benzoic acid ethyl ester; methane Formula: C13H21N3O3 MolecularWeight: 267.32414

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Descriptors Computed from Structure

Canonical SMILES:

C.CCOC(=O)C1=CC=CC=C1OCCN=C(N)N

Isomeric SMILES

C.CCOC(=O)C1=CC=CC=C1OCCN=C(N)N

InChI

InChI=1S/C12H17N3O3.CH4/c1-2-17-11(16)9-5-3-4-6-10(9)18-8-7-15-12(13)14;/h3-6H,2,7-8H2,1H3,(H4,13,14,15);1H4