4-[3-(4-methoxycarbonylphenyl)-5-nitro-indazol-1-yl]benzoic acid

Systemtic Name: 4-[3-(4-methoxycarbonylphenyl)-5-nitro-indazol-1-yl]benzoic acid Openeye Name: 4-[3-(4-methoxycarbonylphenyl)-5-nitro-indazol-1-yl]benzoic acid CAS Name: 4-[3-(4-methoxycarbonylphenyl)-5-nitro-1-indazolyl]benzoic acid IUPAC Name: 4-[3-(4-methoxycarbonylphenyl)-5-nitroindazol-1-yl]benzoic acid Traditional Name: 4-[3-(4-carbomethoxyphenyl)-5-nitro-indazol-1-yl]benzoic acid Formula: C22H15N3O6 MolecularWeight: 417.371

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=NN(C3=C2C=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=NN(C3=C2C=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C22H15N3O6/c1-31-22(28)15-4-2-13(3-5-15)20-18-12-17(25(29)30)10-11-19(18)24(23-20)16-8-6-14(7-9-16)21(26)27/h2-12H,1H3,(H,26,27)