methyl 3-[4-[4-(4-carbamimidoylphenyl)phenyl]-5-oxidanylidene-1,2,4-triazol-1-yl]propanoate

Systemtic Name: methyl 3-[4-[4-(4-carbamimidoylphenyl)phenyl]-5-oxidanylidene-1,2,4-triazol-1-yl]propanoate Openeye Name: methyl 3-[4-[4-(4-carbamimidoylphenyl)phenyl]-5-oxo-1,2,4-triazol-1-yl]propanoate CAS Name: 3-[4-[4-(4-carbamimidoylphenyl)phenyl]-5-oxo-1,2,4-triazol-1-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[4-(4-carbamimidoylphenyl)phenyl]-5-oxo-1,2,4-triazol-1-yl]propanoate Traditional Name: 3-[4-[4-(4-amidinophenyl)phenyl]-5-keto-1,2,4-triazol-1-yl]propionic acid methyl ester Formula: C19H19N5O3 MolecularWeight: 365.38586

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C(=O)N(C=N1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)CCN1C(=O)N(C=N1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C19H19N5O3/c1-27-17(25)10-11-24-19(26)23(12-22-24)16-8-6-14(7-9-16)13-2-4-15(5-3-13)18(20)21/h2-9,12H,10-11H2,1H3,(H3,20,21)