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

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

Click to see the large picture

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