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

Systemtic Name: 4-[[(Z)-[1-(4-iodophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]carbamoylamino]benzoate Openeye Name: 4-[[(Z)-[1-(4-iodophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methyl]carbamoylamino]benzoate CAS Name: 4-[[[[(Z)-[1-(4-iodophenyl)-3-methyl-5-oxo-4-pyrazolylidene]methyl]amino]-oxomethyl]amino]benzoate IUPAC Name: 4-[[(Z)-[1-(4-iodophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]carbamoylamino]benzoate Traditional Name: 4-[[(Z)-[1-(4-iodophenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]methyl]carbamoylamino]benzoate Formula: C19H14IN4O4- MolecularWeight: 489.24333

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15IN4O4/c1-11-16(17(25)24(23-11)15-8-4-13(20)5-9-15)10-21-19(28)22-14-6-2-12(3-7-14)18(26)27/h2-10H,1H3,(H,26,27)(H2,21,22,28)/p-1/b16-10-