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

Systemtic Name: (3-cyclopentylcarbonyloxyphenyl) 4-[bis(azanyl)methylideneamino]-3-chloranyl-benzoate Openeye Name: [3-(cyclopentanecarbonyloxy)phenyl] 3-chloro-4-guanidino-benzoate CAS Name: 3-chloro-4-(diaminomethylideneamino)benzoic acid [3-[cyclopentyl(oxo)methoxy]phenyl] ester IUPAC Name: [3-(cyclopentanecarbonyloxy)phenyl] 3-chloro-4-(diaminomethylideneamino)benzoate Traditional Name: 3-chloro-4-guanidino-benzoic acid [3-(cyclopentanecarbonyloxy)phenyl] ester Formula: C20H20ClN3O4 MolecularWeight: 401.8435

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(=O)OC2=CC=CC(=C2)OC(=O)C3=CC(=C(C=C3)N=C(N)N)Cl

Isomeric SMILES

C1CCC(C1)C(=O)OC2=CC=CC(=C2)OC(=O)C3=CC(=C(C=C3)N=C(N)N)Cl

InChI

InChI=1S/C20H20ClN3O4/c21-16-10-13(8-9-17(16)24-20(22)23)19(26)28-15-7-3-6-14(11-15)27-18(25)12-4-1-2-5-12/h3,6-12H,1-2,4-5H2,(H4,22,23,24)