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

Systemtic Name: 4-[5-nitro-3-[4-(3-oxidanylpropylcarbamoyl)phenyl]indazol-1-yl]benzoic acid Openeye Name: 4-[3-[4-(3-hydroxypropylcarbamoyl)phenyl]-5-nitro-indazol-1-yl]benzoic acid CAS Name: 4-[3-[4-[(3-hydroxypropylamino)-oxomethyl]phenyl]-5-nitro-1-indazolyl]benzoic acid IUPAC Name: 4-[3-[4-(3-hydroxypropylcarbamoyl)phenyl]-5-nitroindazol-1-yl]benzoic acid Traditional Name: 4-[3-[4-(3-hydroxypropylcarbamoyl)phenyl]-5-nitro-indazol-1-yl]benzoic acid Formula: C24H20N4O6 MolecularWeight: 460.4388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN(C3=C2C=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)C(=O)O)C(=O)NCCCO

Isomeric SMILES

C1=CC(=CC=C1C2=NN(C3=C2C=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)C(=O)O)C(=O)NCCCO

InChI

InChI=1S/C24H20N4O6/c29-13-1-12-25-23(30)16-4-2-15(3-5-16)22-20-14-19(28(33)34)10-11-21(20)27(26-22)18-8-6-17(7-9-18)24(31)32/h2-11,14,29H,1,12-13H2,(H,25,30)(H,31,32)