N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-iodanyl-2-nitro-benzamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-iodanyl-2-nitro-benzamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-iodo-2-nitro-benzamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-4-iodo-2-nitrobenzamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-iodo-2-nitrobenzamide Traditional Name: 4-iodo-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2-nitro-benzamide Formula: C18H15IN4O4 MolecularWeight: 478.24057

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=C(C=C(C=C3)I)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=C(C=C(C=C3)I)[N+](=O)[O-]

InChI

InChI=1S/C18H15IN4O4/c1-11-16(18(25)22(21(11)2)13-6-4-3-5-7-13)20-17(24)14-9-8-12(19)10-15(14)23(26)27/h3-10H,1-2H3,(H,20,24)