4-[(Z)-[1-(4-iodophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]-2-nitro-phenolate

Systemtic Name: 4-[(Z)-[1-(4-iodophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]-2-nitro-phenolate Openeye Name: 4-[(Z)-[1-(4-iodophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methyl]-2-nitro-phenolate CAS Name: 4-[(Z)-[1-(4-iodophenyl)-3-methyl-5-oxo-4-pyrazolylidene]methyl]-2-nitrophenolate IUPAC Name: 4-[(Z)-[1-(4-iodophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-2-nitrophenolate Traditional Name: 4-[(Z)-[1-(4-iodophenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]methyl]-2-nitro-phenolate Formula: C17H11IN3O4- MolecularWeight: 448.19141

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)[O-])[N+](=O)[O-])C3=CC=C(C=C3)I

Isomeric SMILES

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

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/h2-9,22H,1H3/p-1/b14-8-