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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NN2C3=C(C(=CC(=C3)C(=O)O)[N+](=O)[O-])C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=NN2C3=C(C(=CC(=C3)C(=O)O)[N+](=O)[O-])C4=CC=C(C=C4)C(=O)O

InChI

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