ethyl 3-[bis(azanyl)methylideneamino]-1-azabicyclo[2.2.2]oct-2-ene-2-carboxylate

Systemtic Name: ethyl 3-[bis(azanyl)methylideneamino]-1-azabicyclo[2.2.2]oct-2-ene-2-carboxylate Openeye Name: ethyl 3-guanidino-1-azabicyclo[2.2.2]oct-2-ene-2-carboxylate CAS Name: 3-(diaminomethylideneamino)-1-azabicyclo[2.2.2]oct-2-ene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(diaminomethylideneamino)-1-azabicyclo[2.2.2]oct-2-ene-2-carboxylate Traditional Name: 3-guanidino-1-azabicyclo[2.2.2]oct-2-ene-2-carboxylic acid ethyl ester Formula: C11H18N4O2 MolecularWeight: 238.28622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2CCN1CC2)N=C(N)N

Isomeric SMILES

CCOC(=O)C1=C(C2CCN1CC2)N=C(N)N

InChI

InChI=1S/C11H18N4O2/c1-2-17-10(16)9-8(14-11(12)13)7-3-5-15(9)6-4-7/h7H,2-6H2,1H3,(H4,12,13,14)