3-(4-chloranyl-2-nitro-phenyl)-1,5,6,7-tetrahydroindazol-4-one

Systemtic Name: 3-(4-chloranyl-2-nitro-phenyl)-1,5,6,7-tetrahydroindazol-4-one Openeye Name: 3-(4-chloro-2-nitro-phenyl)-1,5,6,7-tetrahydroindazol-4-one CAS Name: 3-(4-chloro-2-nitrophenyl)-1,5,6,7-tetrahydroindazol-4-one IUPAC Name: 3-(4-chloro-2-nitrophenyl)-1,5,6,7-tetrahydroindazol-4-one Traditional Name: 3-(4-chloro-2-nitro-phenyl)-1,5,6,7-tetrahydroindazol-4-one Formula: C13H10ClN3O3 MolecularWeight: 291.6898

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=O)C1)C(=NN2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CC2=C(C(=O)C1)C(=NN2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H10ClN3O3/c14-7-4-5-8(10(6-7)17(19)20)13-12-9(15-16-13)2-1-3-11(12)18/h4-6H,1-3H2,(H,15,16)