1-[(E)-[1-(4-iodophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]-3-(5-nitro-2-oxidanyl-phenyl)urea

Systemtic Name: 1-[(E)-[1-(4-iodophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]-3-(5-nitro-2-oxidanyl-phenyl)urea Openeye Name: 1-(2-hydroxy-5-nitro-phenyl)-3-[(E)-[1-(4-iodophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methyl]urea CAS Name: 1-(2-hydroxy-5-nitrophenyl)-3-[(E)-[1-(4-iodophenyl)-3-methyl-5-oxo-4-pyrazolylidene]methyl]urea IUPAC Name: 1-(2-hydroxy-5-nitrophenyl)-3-[(E)-[1-(4-iodophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]urea Traditional Name: 1-(2-hydroxy-5-nitro-phenyl)-3-[(E)-[1-(4-iodophenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]methyl]urea Formula: C18H14IN5O5 MolecularWeight: 507.23873

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])O)C3=CC=C(C=C3)I

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/NC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])O)C3=CC=C(C=C3)I

InChI

InChI=1S/C18H14IN5O5/c1-10-14(17(26)23(22-10)12-4-2-11(19)3-5-12)9-20-18(27)21-15-8-13(24(28)29)6-7-16(15)25/h2-9,25H,1H3,(H2,20,21,27)/b14-9+