3-[[6-azanyl-5-(4-chlorophenyl)-1,2,4-triazin-3-yl]amino]benzoic acid

Systemtic Name: 3-[[6-azanyl-5-(4-chlorophenyl)-1,2,4-triazin-3-yl]amino]benzoic acid Openeye Name: 3-[[6-amino-5-(4-chlorophenyl)-1,2,4-triazin-3-yl]amino]benzoic acid CAS Name: 3-[[6-amino-5-(4-chlorophenyl)-1,2,4-triazin-3-yl]amino]benzoic acid IUPAC Name: 3-[[6-amino-5-(4-chlorophenyl)-1,2,4-triazin-3-yl]amino]benzoic acid Traditional Name: 3-[[6-amino-5-(4-chlorophenyl)-1,2,4-triazin-3-yl]amino]benzoic acid Formula: C16H12ClN5O2 MolecularWeight: 341.75178

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=NC(=C(N=N2)N)C3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC2=NC(=C(N=N2)N)C3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C16H12ClN5O2/c17-11-6-4-9(5-7-11)13-14(18)21-22-16(20-13)19-12-3-1-2-10(8-12)15(23)24/h1-8H,(H2,18,21)(H,23,24)(H,19,20,22)