2-[[1-(5-chloranyl-6-oxidanyl-naphthalen-2-yl)pyrazol-4-yl]carbonylamino]benzoic acid

Systemtic Name: 2-[[1-(5-chloranyl-6-oxidanyl-naphthalen-2-yl)pyrazol-4-yl]carbonylamino]benzoic acid Openeye Name: 2-[[1-(5-chloro-6-hydroxy-2-naphthyl)pyrazole-4-carbonyl]amino]benzoic acid CAS Name: 2-[[[1-(5-chloro-6-hydroxy-2-naphthalenyl)-4-pyrazolyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[[1-(5-chloro-6-hydroxynaphthalen-2-yl)pyrazole-4-carbonyl]amino]benzoic acid Traditional Name: 2-[[1-(5-chloro-6-hydroxy-2-naphthyl)pyrazole-4-carbonyl]amino]benzoic acid Formula: C21H14ClN3O4 MolecularWeight: 407.80656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CN(N=C2)C3=CC4=C(C=C3)C(=C(C=C4)O)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CN(N=C2)C3=CC4=C(C=C3)C(=C(C=C4)O)Cl

InChI

InChI=1S/C21H14ClN3O4/c22-19-15-7-6-14(9-12(15)5-8-18(19)26)25-11-13(10-23-25)20(27)24-17-4-2-1-3-16(17)21(28)29/h1-11,26H,(H,24,27)(H,28,29)