4-(3-oxidanylidene-4,5,6,7-tetrahydro-1H-indazol-2-yl)benzoate

Systemtic Name: 4-(3-oxidanylidene-4,5,6,7-tetrahydro-1H-indazol-2-yl)benzoate Openeye Name: 4-(3-oxo-4,5,6,7-tetrahydro-1H-indazol-2-yl)benzoate CAS Name: 4-(3-oxo-4,5,6,7-tetrahydro-1H-indazol-2-yl)benzoate IUPAC Name: 4-(3-oxo-4,5,6,7-tetrahydro-1H-indazol-2-yl)benzoate Traditional Name: 4-(3-keto-4,5,6,7-tetrahydro-1H-indazol-2-yl)benzoate Formula: C14H13N2O3- MolecularWeight: 257.26462

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=O)N(N2)C3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C(=O)N(N2)C3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C14H14N2O3/c17-13-11-3-1-2-4-12(11)15-16(13)10-7-5-9(6-8-10)14(18)19/h5-8,15H,1-4H2,(H,18,19)/p-1