4-[[6-chloranyl-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amino]benzoic acid

Systemtic Name: 4-[[6-chloranyl-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amino]benzoic acid Openeye Name: 4-[[6-chloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amino]benzoic acid CAS Name: 4-[[6-chloro-3-(3,5-dimethyl-1-pyrazolyl)-2-quinoxalinyl]amino]benzoic acid IUPAC Name: 4-[[6-chloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amino]benzoic acid Traditional Name: 4-[[6-chloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amino]benzoic acid Formula: C20H16ClN5O2 MolecularWeight: 393.82634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC3=C(C=CC(=C3)Cl)N=C2NC4=CC=C(C=C4)C(=O)O)C

Isomeric SMILES

CC1=CC(=NN1C2=NC3=C(C=CC(=C3)Cl)N=C2NC4=CC=C(C=C4)C(=O)O)C

InChI

InChI=1S/C20H16ClN5O2/c1-11-9-12(2)26(25-11)19-18(22-15-6-3-13(4-7-15)20(27)28)23-16-8-5-14(21)10-17(16)24-19/h3-10H,1-2H3,(H,22,23)(H,27,28)