2-(4-iodophenyl)-5-methyl-4-[(3-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-1H-pyrazol-3-one

Systemtic Name: 2-(4-iodophenyl)-5-methyl-4-[(3-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-1H-pyrazol-3-one Openeye Name: 2-(4-iodophenyl)-5-methyl-4-[(3-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-1H-pyrazol-3-one CAS Name: 2-(4-iodophenyl)-5-methyl-4-[(3-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-1H-pyrazol-3-one IUPAC Name: 2-(4-iodophenyl)-5-methyl-4-[(3-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-1H-pyrazol-3-one Traditional Name: 2-(4-iodophenyl)-4-[(4-keto-3-nitro-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-3-pyrazolin-3-one Formula: C17H12IN3O4 MolecularWeight: 449.19935

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)I)C=C3C=CC(=O)C(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)I)C=C3C=CC(=O)C(=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H12IN3O4/c1-10-14(8-11-2-7-16(22)15(9-11)21(24)25)17(23)20(19-10)13-5-3-12(18)4-6-13/h2-9,19H,1H3