2-[[4-[[3-[bis(azanyl)methylideneamino]phenyl]carbonylamino]phenyl]methyl]propanedioic acid

Systemtic Name: 2-[[4-[[3-[bis(azanyl)methylideneamino]phenyl]carbonylamino]phenyl]methyl]propanedioic acid Openeye Name: 2-[[4-[(3-guanidinobenzoyl)amino]phenyl]methyl]propanedioic acid CAS Name: 2-[[4-[[[3-(diaminomethylideneamino)phenyl]-oxomethyl]amino]phenyl]methyl]propanedioic acid IUPAC Name: 2-[[4-[[3-(diaminomethylideneamino)benzoyl]amino]phenyl]methyl]propanedioic acid Traditional Name: 2-[4-[(3-guanidinobenzoyl)amino]benzyl]malonic acid Formula: C18H18N4O5 MolecularWeight: 370.35932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N=C(N)N)C(=O)NC2=CC=C(C=C2)CC(C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)N=C(N)N)C(=O)NC2=CC=C(C=C2)CC(C(=O)O)C(=O)O

InChI

InChI=1S/C18H18N4O5/c19-18(20)22-13-3-1-2-11(9-13)15(23)21-12-6-4-10(5-7-12)8-14(16(24)25)17(26)27/h1-7,9,14H,8H2,(H,21,23)(H,24,25)(H,26,27)(H4,19,20,22)