3-[3-[(3-chlorophenyl)amino]-5-methoxy-indazol-1-yl]benzoic acid

Systemtic Name: 3-[3-[(3-chlorophenyl)amino]-5-methoxy-indazol-1-yl]benzoic acid Openeye Name: 3-[3-(3-chloroanilino)-5-methoxy-indazol-1-yl]benzoic acid CAS Name: 3-[3-(3-chloroanilino)-5-methoxy-1-indazolyl]benzoic acid IUPAC Name: 3-[3-(3-chloroanilino)-5-methoxyindazol-1-yl]benzoic acid Traditional Name: 3-[3-(3-chloroanilino)-5-methoxy-indazol-1-yl]benzoic acid Formula: C21H16ClN3O3 MolecularWeight: 393.82304

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(N=C2NC3=CC(=CC=C3)Cl)C4=CC=CC(=C4)C(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)N(N=C2NC3=CC(=CC=C3)Cl)C4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C21H16ClN3O3/c1-28-17-8-9-19-18(12-17)20(23-15-6-3-5-14(22)11-15)24-25(19)16-7-2-4-13(10-16)21(26)27/h2-12H,1H3,(H,23,24)(H,26,27)