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

Systemtic Name: N-[4-[[6-(4-chloranyl-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanamide Openeye Name: N-[4-[[6-(4-chloro-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]amino]phenyl]acetamide CAS Name: N-[4-[[6-(4-chloro-3-methylphenoxy)-5-nitro-4-pyrimidinyl]amino]phenyl]acetamide IUPAC Name: N-[4-[[6-(4-chloro-3-methylphenoxy)-5-nitropyrimidin-4-yl]amino]phenyl]acetamide Traditional Name: N-[4-[[6-(4-chloro-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]amino]phenyl]acetamide Formula: C19H16ClN5O4 MolecularWeight: 413.81444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClN5O4/c1-11-9-15(7-8-16(11)20)29-19-17(25(27)28)18(21-10-22-19)24-14-5-3-13(4-6-14)23-12(2)26/h3-10H,1-2H3,(H,23,26)(H,21,22,24)