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

Systemtic Name: 1-[3-[[6-(4-chloranyl-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[3-[[6-(4-chloro-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[3-[[6-(4-chloro-3-methylphenoxy)-5-nitro-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[3-[[6-(4-chloro-3-methylphenoxy)-5-nitropyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[3-[[6-(4-chloro-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Formula: C19H15ClN4O4 MolecularWeight: 398.7998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC(=C3)C(=O)C)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC(=C3)C(=O)C)Cl

InChI

InChI=1S/C19H15ClN4O4/c1-11-8-15(6-7-16(11)20)28-19-17(24(26)27)18(21-10-22-19)23-14-5-3-4-13(9-14)12(2)25/h3-10H,1-2H3,(H,21,22,23)