[4-(2-oxidanylidene-2-phenylazanyl-ethoxy)carbonylphenyl] 4-[bis(azanyl)methylideneamino]benzoate

Systemtic Name: [4-(2-oxidanylidene-2-phenylazanyl-ethoxy)carbonylphenyl] 4-[bis(azanyl)methylideneamino]benzoate Openeye Name: [4-(2-anilino-2-oxo-ethoxy)carbonylphenyl] 4-guanidinobenzoate CAS Name: 4-(diaminomethylideneamino)benzoic acid [4-[(2-anilino-2-oxoethoxy)-oxomethyl]phenyl] ester IUPAC Name: [4-(2-anilino-2-oxoethoxy)carbonylphenyl] 4-(diaminomethylideneamino)benzoate Traditional Name: 4-guanidinobenzoic acid [4-(2-anilino-2-keto-ethoxy)carbonylphenyl] ester Formula: C23H20N4O5 MolecularWeight: 432.4287

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)N=C(N)N

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)N=C(N)N

InChI

InChI=1S/C23H20N4O5/c24-23(25)27-18-10-6-16(7-11-18)22(30)32-19-12-8-15(9-13-19)21(29)31-14-20(28)26-17-4-2-1-3-5-17/h1-13H,14H2,(H,26,28)(H4,24,25,27)