4-[[3,5-bis(iodanyl)-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]methyl]-5-tert-butyl-2-(4-nitrophenyl)-1H-pyrazol-3-one

Systemtic Name: 4-[[3,5-bis(iodanyl)-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]methyl]-5-tert-butyl-2-(4-nitrophenyl)-1H-pyrazol-3-one Openeye Name: 5-tert-butyl-4-[(3,5-diiodo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]-2-(4-nitrophenyl)-1H-pyrazol-3-one CAS Name: 5-tert-butyl-4-[(3,5-diiodo-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-2-(4-nitrophenyl)-1H-pyrazol-3-one IUPAC Name: 5-tert-butyl-4-[(3,5-diiodo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-2-(4-nitrophenyl)-1H-pyrazol-3-one Traditional Name: 5-tert-butyl-4-[(3,5-diiodo-6-keto-cyclohexa-2,4-dien-1-ylidene)methyl]-2-(4-nitrophenyl)-3-pyrazolin-3-one Formula: C20H17I2N3O4 MolecularWeight: 617.17562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=O)N(N1)C2=CC=C(C=C2)[N+](=O)[O-])C=C3C=C(C=C(C3=O)I)I

Isomeric SMILES

CC(C)(C)C1=C(C(=O)N(N1)C2=CC=C(C=C2)[N+](=O)[O-])C=C3C=C(C=C(C3=O)I)I

InChI

InChI=1S/C20H17I2N3O4/c1-20(2,3)18-15(9-11-8-12(21)10-16(22)17(11)26)19(27)24(23-18)13-4-6-14(7-5-13)25(28)29/h4-10,23H,1-3H3