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

Systemtic Name: [4-(2-morpholin-4-yl-2-oxidanylidene-ethoxy)carbonylphenyl] 4-[bis(azanyl)methylideneamino]benzoate Openeye Name: [4-(2-morpholino-2-oxo-ethoxy)carbonylphenyl] 4-guanidinobenzoate CAS Name: 4-(diaminomethylideneamino)benzoic acid [4-[[2-(4-morpholinyl)-2-oxoethoxy]-oxomethyl]phenyl] ester IUPAC Name: [4-(2-morpholin-4-yl-2-oxoethoxy)carbonylphenyl] 4-(diaminomethylideneamino)benzoate Traditional Name: 4-guanidinobenzoic acid [4-(2-keto-2-morpholino-ethoxy)carbonylphenyl] ester Formula: C21H22N4O6 MolecularWeight: 426.42258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)COC(=O)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)N=C(N)N

Isomeric SMILES

C1COCCN1C(=O)COC(=O)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)N=C(N)N

InChI

InChI=1S/C21H22N4O6/c22-21(23)24-16-5-1-15(2-6-16)20(28)31-17-7-3-14(4-8-17)19(27)30-13-18(26)25-9-11-29-12-10-25/h1-8H,9-13H2,(H4,22,23,24)