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

Systemtic Name: 4-[1-(4-carboxyphenyl)-5-nitro-indazol-3-yl]benzoic acid Openeye Name: 4-[1-(4-carboxyphenyl)-5-nitro-indazol-3-yl]benzoic acid CAS Name: 4-[1-(4-carboxyphenyl)-5-nitro-3-indazolyl]benzoic acid IUPAC Name: 4-[1-(4-carboxyphenyl)-5-nitroindazol-3-yl]benzoic acid Traditional Name: 4-[1-(4-carboxyphenyl)-5-nitro-indazol-3-yl]benzoic acid Formula: C21H13N3O6 MolecularWeight: 403.34442

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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)O

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)O

InChI

InChI=1S/C21H13N3O6/c25-20(26)13-3-1-12(2-4-13)19-17-11-16(24(29)30)9-10-18(17)23(22-19)15-7-5-14(6-8-15)21(27)28/h1-11H,(H,25,26)(H,27,28)