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

Systemtic Name: 2-(4-iodophenyl)-4-[(3-methoxy-5-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-1H-pyrazol-3-one Openeye Name: 2-(4-iodophenyl)-4-[(3-methoxy-5-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-1H-pyrazol-3-one CAS Name: 2-(4-iodophenyl)-4-[(3-methoxy-5-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-5-methyl-1H-pyrazol-3-one IUPAC Name: 2-(4-iodophenyl)-4-[(3-methoxy-5-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-1H-pyrazol-3-one Traditional Name: 2-(4-iodophenyl)-4-[(4-keto-3-methoxy-5-nitro-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-3-pyrazolin-3-one Formula: C18H14IN3O5 MolecularWeight: 479.22533

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14IN3O5/c1-10-14(18(24)21(20-10)13-5-3-12(19)4-6-13)7-11-8-15(22(25)26)17(23)16(9-11)27-2/h3-9,20H,1-2H3