3-[1-(7-chloranyl-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethyl-ethanoyl-amino]benzoic acid

Systemtic Name: 3-[1-(7-chloranyl-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethyl-ethanoyl-amino]benzoic acid Openeye Name: 3-[acetyl-[1-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethyl]amino]benzoic acid CAS Name: 3-[acetyl-[1-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethyl]amino]benzoic acid IUPAC Name: 3-[acetyl-[1-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethyl]amino]benzoic acid Traditional Name: 3-[acetyl-[1-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethyl]amino]benzoic acid Formula: C16H16ClN5O3 MolecularWeight: 361.78294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NN=C(N2N1)C(C)N(C3=CC=CC(=C3)C(=O)O)C(=O)C)Cl

Isomeric SMILES

CC1=C(C2=NN=C(N2N1)C(C)N(C3=CC=CC(=C3)C(=O)O)C(=O)C)Cl

InChI

InChI=1S/C16H16ClN5O3/c1-8-13(17)15-19-18-14(22(15)20-8)9(2)21(10(3)23)12-6-4-5-11(7-12)16(24)25/h4-7,9,20H,1-3H3,(H,24,25)