5-(4-iodanylcyclohexa-1,5-dien-1-yl)-3-(4-nitrophenyl)-1H-pyrazole

Systemtic Name: 5-(4-iodanylcyclohexa-1,5-dien-1-yl)-3-(4-nitrophenyl)-1H-pyrazole Openeye Name: 5-(4-iodocyclohexa-1,5-dien-1-yl)-3-(4-nitrophenyl)-1H-pyrazole CAS Name: 5-(4-iodo-1-cyclohexa-1,5-dienyl)-3-(4-nitrophenyl)-1H-pyrazole IUPAC Name: 5-(4-iodocyclohexa-1,5-dien-1-yl)-3-(4-nitrophenyl)-1H-pyrazole Traditional Name: 5-(4-iodocyclohexa-1,5-dien-1-yl)-3-(4-nitrophenyl)-1H-pyrazole Formula: C15H12IN3O2 MolecularWeight: 393.17915

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C=CC1I)C2=CC(=NN2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1C=C(C=CC1I)C2=CC(=NN2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H12IN3O2/c16-12-5-1-10(2-6-12)14-9-15(18-17-14)11-3-7-13(8-4-11)19(20)21/h1-5,7-9,12H,6H2,(H,17,18)