4-azanyl-2-[2-[bis(azanyl)methylideneamino]phenyl]-4-oxidanylidene-2-phenoxy-butanoic acid

Systemtic Name: 4-azanyl-2-[2-[bis(azanyl)methylideneamino]phenyl]-4-oxidanylidene-2-phenoxy-butanoic acid Openeye Name: 4-amino-2-(2-guanidinophenyl)-4-oxo-2-phenoxy-butanoic acid CAS Name: 4-amino-2-[2-(diaminomethylideneamino)phenyl]-4-oxo-2-phenoxybutanoic acid IUPAC Name: 4-amino-2-[2-(diaminomethylideneamino)phenyl]-4-oxo-2-phenoxybutanoic acid Traditional Name: 4-amino-2-(2-guanidinophenyl)-4-keto-2-phenoxy-butyric acid Formula: C17H18N4O4 MolecularWeight: 342.34922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(CC(=O)N)(C2=CC=CC=C2N=C(N)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OC(CC(=O)N)(C2=CC=CC=C2N=C(N)N)C(=O)O

InChI

InChI=1S/C17H18N4O4/c18-14(22)10-17(15(23)24,25-11-6-2-1-3-7-11)12-8-4-5-9-13(12)21-16(19)20/h1-9H,10H2,(H2,18,22)(H,23,24)(H4,19,20,21)