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

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)carbonylphenyl] 4-[bis(azanyl)methylideneamino]benzoate Openeye Name: [4-(2-amino-2-oxo-ethoxy)carbonylphenyl] 4-guanidinobenzoate CAS Name: 4-(diaminomethylideneamino)benzoic acid [4-[(2-amino-2-oxoethoxy)-oxomethyl]phenyl] ester IUPAC Name: [4-(2-amino-2-oxoethoxy)carbonylphenyl] 4-(diaminomethylideneamino)benzoate Traditional Name: 4-guanidinobenzoic acid [4-(2-amino-2-keto-ethoxy)carbonylphenyl] ester Formula: C17H16N4O5 MolecularWeight: 356.33274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)C(=O)OCC(=O)N)N=C(N)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)C(=O)OCC(=O)N)N=C(N)N

InChI

InChI=1S/C17H16N4O5/c18-14(22)9-25-15(23)10-3-7-13(8-4-10)26-16(24)11-1-5-12(6-2-11)21-17(19)20/h1-8H,9H2,(H2,18,22)(H4,19,20,21)