[4-(2-oxidanylidene-2-phenylmethoxy-ethyl)phenyl] 4-[bis(azanyl)methylideneamino]benzoate

Systemtic Name: [4-(2-oxidanylidene-2-phenylmethoxy-ethyl)phenyl] 4-[bis(azanyl)methylideneamino]benzoate Openeye Name: [4-(2-benzyloxy-2-oxo-ethyl)phenyl] 4-guanidinobenzoate CAS Name: 4-(diaminomethylideneamino)benzoic acid [4-(2-oxo-2-phenylmethoxyethyl)phenyl] ester IUPAC Name: [4-(2-oxo-2-phenylmethoxyethyl)phenyl] 4-(diaminomethylideneamino)benzoate Traditional Name: 4-guanidinobenzoic acid [4-(2-benzoxy-2-keto-ethyl)phenyl] ester Formula: C23H21N3O4 MolecularWeight: 403.43054

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)N=C(N)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)N=C(N)N

InChI

InChI=1S/C23H21N3O4/c24-23(25)26-19-10-8-18(9-11-19)22(28)30-20-12-6-16(7-13-20)14-21(27)29-15-17-4-2-1-3-5-17/h1-13H,14-15H2,(H4,24,25,26)