4-[(6-nitroindazol-1-yl)methyl]benzoic acid

Systemtic Name: 4-[(6-nitroindazol-1-yl)methyl]benzoic acid Openeye Name: 4-[(6-nitroindazol-1-yl)methyl]benzoic acid CAS Name: 4-[(6-nitro-1-indazolyl)methyl]benzoic acid IUPAC Name: 4-[(6-nitroindazol-1-yl)methyl]benzoic acid Traditional Name: 4-[(6-nitroindazol-1-yl)methyl]benzoic acid Formula: C15H11N3O4 MolecularWeight: 297.26554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C3=C(C=CC(=C3)[N+](=O)[O-])C=N2)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CN2C3=C(C=CC(=C3)[N+](=O)[O-])C=N2)C(=O)O

InChI

InChI=1S/C15H11N3O4/c19-15(20)11-3-1-10(2-4-11)9-17-14-7-13(18(21)22)6-5-12(14)8-16-17/h1-8H,9H2,(H,19,20)