4-chloranyl-N'-[5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]benzohydrazide

Systemtic Name: 4-chloranyl-N'-[5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]benzohydrazide Openeye Name: 4-chloro-N'-[6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-yl]benzohydrazide CAS Name: 4-chloro-N'-[5-nitro-6-(4-propan-2-ylphenoxy)-4-pyrimidinyl]benzohydrazide IUPAC Name: 4-chloro-N'-[5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]benzohydrazide Traditional Name: 4-chloro-N'-[6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-yl]benzohydrazide Formula: C20H18ClN5O4 MolecularWeight: 427.84102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NNC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NNC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H18ClN5O4/c1-12(2)13-5-9-16(10-6-13)30-20-17(26(28)29)18(22-11-23-20)24-25-19(27)14-3-7-15(21)8-4-14/h3-12H,1-2H3,(H,25,27)(H,22,23,24)