1-[3-[[6-(4-chloranyl-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone

Systemtic Name: 1-[3-[[6-(4-chloranyl-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[3-[[6-(4-chloro-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[3-[[6-(4-chloro-3,5-dimethylphenoxy)-5-nitro-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[3-[[6-(4-chloro-3,5-dimethylphenoxy)-5-nitropyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[3-[[6-(4-chloro-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Formula: C20H17ClN4O4 MolecularWeight: 412.82638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC(=C3)C(=O)C

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC(=C3)C(=O)C

InChI

InChI=1S/C20H17ClN4O4/c1-11-7-16(8-12(2)17(11)21)29-20-18(25(27)28)19(22-10-23-20)24-15-6-4-5-14(9-15)13(3)26/h4-10H,1-3H3,(H,22,23,24)