3-chloranyl-N'-[6-[(4-iodophenyl)amino]-5-nitro-pyrimidin-4-yl]benzohydrazide

Systemtic Name: 3-chloranyl-N'-[6-[(4-iodophenyl)amino]-5-nitro-pyrimidin-4-yl]benzohydrazide Openeye Name: 3-chloro-N'-[6-(4-iodoanilino)-5-nitro-pyrimidin-4-yl]benzohydrazide CAS Name: 3-chloro-N'-[6-(4-iodoanilino)-5-nitro-4-pyrimidinyl]benzohydrazide IUPAC Name: 3-chloro-N'-[6-(4-iodoanilino)-5-nitropyrimidin-4-yl]benzohydrazide Traditional Name: 3-chloro-N'-[6-(4-iodoanilino)-5-nitro-pyrimidin-4-yl]benzohydrazide Formula: C17H12ClIN6O3 MolecularWeight: 510.67305

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)C(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)I

Isomeric SMILES

C1=CC(=CC(=C1)Cl)C(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)I

InChI

InChI=1S/C17H12ClIN6O3/c18-11-3-1-2-10(8-11)17(26)24-23-16-14(25(27)28)15(20-9-21-16)22-13-6-4-12(19)5-7-13/h1-9H,(H,24,26)(H2,20,21,22,23)