4-[4-(2,3-dihydro-1H-inden-2-yloxy)-3-(1-methylindazol-5-yl)-5-nitro-phenyl]butanoic acid

Systemtic Name: 4-[4-(2,3-dihydro-1H-inden-2-yloxy)-3-(1-methylindazol-5-yl)-5-nitro-phenyl]butanoic acid Openeye Name: 4-[4-indan-2-yloxy-3-(1-methylindazol-5-yl)-5-nitro-phenyl]butanoic acid CAS Name: 4-[4-(2,3-dihydro-1H-inden-2-yloxy)-3-(1-methyl-5-indazolyl)-5-nitrophenyl]butanoic acid IUPAC Name: 4-[4-(2,3-dihydro-1H-inden-2-yloxy)-3-(1-methylindazol-5-yl)-5-nitrophenyl]butanoic acid Traditional Name: 4-[4-indan-2-yloxy-3-(1-methylindazol-5-yl)-5-nitro-phenyl]butyric acid Formula: C27H25N3O5 MolecularWeight: 471.5045

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C3=CC(=CC(=C3OC4CC5=CC=CC=C5C4)[N+](=O)[O-])CCCC(=O)O)C=N1

Isomeric SMILES

CN1C2=C(C=C(C=C2)C3=CC(=CC(=C3OC4CC5=CC=CC=C5C4)[N+](=O)[O-])CCCC(=O)O)C=N1

InChI

InChI=1S/C27H25N3O5/c1-29-24-10-9-20(13-21(24)16-28-29)23-11-17(5-4-8-26(31)32)12-25(30(33)34)27(23)35-22-14-18-6-2-3-7-19(18)15-22/h2-3,6-7,9-13,16,22H,4-5,8,14-15H2,1H3,(H,31,32)