2-chloranyl-5-[[(Z)-[1-(4-iodophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]amino]benzoate

Systemtic Name: 2-chloranyl-5-[[(Z)-[1-(4-iodophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]amino]benzoate Openeye Name: 2-chloro-5-[[(Z)-[1-(4-iodophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methyl]amino]benzoate CAS Name: 2-chloro-5-[[(Z)-[1-(4-iodophenyl)-3-methyl-5-oxo-4-pyrazolylidene]methyl]amino]benzoate IUPAC Name: 2-chloro-5-[[(Z)-[1-(4-iodophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]amino]benzoate Traditional Name: 2-chloro-5-[[(Z)-[1-(4-iodophenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]methyl]amino]benzoate Formula: C18H12ClIN3O3- MolecularWeight: 480.66365

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNC2=CC(=C(C=C2)Cl)C(=O)[O-])C3=CC=C(C=C3)I

Isomeric SMILES

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

InChI

InChI=1S/C18H13ClIN3O3/c1-10-15(9-21-12-4-7-16(19)14(8-12)18(25)26)17(24)23(22-10)13-5-2-11(20)3-6-13/h2-9,21H,1H3,(H,25,26)/p-1/b15-9-