(3-cyclohexylcarbonyloxyphenyl) 4-[bis(azanyl)methylideneamino]-3-chloranyl-benzoate

Systemtic Name: (3-cyclohexylcarbonyloxyphenyl) 4-[bis(azanyl)methylideneamino]-3-chloranyl-benzoate Openeye Name: [3-(cyclohexanecarbonyloxy)phenyl] 3-chloro-4-guanidino-benzoate CAS Name: 3-chloro-4-(diaminomethylideneamino)benzoic acid [3-[cyclohexyl(oxo)methoxy]phenyl] ester IUPAC Name: [3-(cyclohexanecarbonyloxy)phenyl] 3-chloro-4-(diaminomethylideneamino)benzoate Traditional Name: 3-chloro-4-guanidino-benzoic acid [3-(cyclohexanecarbonyloxy)phenyl] ester Formula: C21H22ClN3O4 MolecularWeight: 415.87008

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)OC2=CC=CC(=C2)OC(=O)C3=CC(=C(C=C3)N=C(N)N)Cl

Isomeric SMILES

C1CCC(CC1)C(=O)OC2=CC=CC(=C2)OC(=O)C3=CC(=C(C=C3)N=C(N)N)Cl

InChI

InChI=1S/C21H22ClN3O4/c22-17-11-14(9-10-18(17)25-21(23)24)20(27)29-16-8-4-7-15(12-16)28-19(26)13-5-2-1-3-6-13/h4,7-13H,1-3,5-6H2,(H4,23,24,25)