[[2-[bis(azanyl)methylideneamino]phenyl]carbonylamino] 3-(3-hydroxyphenyl)propanoate

Systemtic Name: [[2-[bis(azanyl)methylideneamino]phenyl]carbonylamino] 3-(3-hydroxyphenyl)propanoate Openeye Name: [(2-guanidinobenzoyl)amino] 3-(3-hydroxyphenyl)propanoate CAS Name: 3-(3-hydroxyphenyl)propanoic acid [[[2-(diaminomethylideneamino)phenyl]-oxomethyl]amino] ester IUPAC Name: [[2-(diaminomethylideneamino)benzoyl]amino] 3-(3-hydroxyphenyl)propanoate Traditional Name: 3-(3-hydroxyphenyl)propionic acid [(2-guanidinobenzoyl)amino] ester Formula: C17H18N4O4 MolecularWeight: 342.34922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NOC(=O)CCC2=CC(=CC=C2)O)N=C(N)N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NOC(=O)CCC2=CC(=CC=C2)O)N=C(N)N

InChI

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