4-[[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]amino]-4-oxidanylidene-2-phenyl-butanoic acid

Systemtic Name: 4-[[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]amino]-4-oxidanylidene-2-phenyl-butanoic acid Openeye Name: 4-[5-chloro-2-(1,2,4-triazol-1-yl)anilino]-4-oxo-2-phenyl-butanoic acid CAS Name: 4-[5-chloro-2-(1,2,4-triazol-1-yl)anilino]-4-oxo-2-phenylbutanoic acid IUPAC Name: 4-[5-chloro-2-(1,2,4-triazol-1-yl)anilino]-4-oxo-2-phenylbutanoic acid Traditional Name: 4-[5-chloro-2-(1,2,4-triazol-1-yl)anilino]-4-keto-2-phenyl-butyric acid Formula: C18H15ClN4O3 MolecularWeight: 370.7897

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3)C(=O)O

InChI

InChI=1S/C18H15ClN4O3/c19-13-6-7-16(23-11-20-10-21-23)15(8-13)22-17(24)9-14(18(25)26)12-4-2-1-3-5-12/h1-8,10-11,14H,9H2,(H,22,24)(H,25,26)