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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)N2C(=O)N(C=N2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)N2C(=O)N(C=N2)C3=CC=C(C=C3)C(=N)N

InChI

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