[4-(4-chloranyl-2-nitro-phenoxy)-3-methoxy-phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [4-(4-chloranyl-2-nitro-phenoxy)-3-methoxy-phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [4-(4-chloro-2-nitro-phenoxy)-3-methoxy-phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [4-(4-chloro-2-nitrophenoxy)-3-methoxyphenyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [4-(4-chloro-2-nitrophenoxy)-3-methoxyphenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [4-(4-chloro-2-nitro-phenoxy)-3-methoxy-phenyl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C22H20ClN5O5 MolecularWeight: 469.8777

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)N2CCN(CC2)C3=NC=CC=N3)OC4=C(C=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)N2CCN(CC2)C3=NC=CC=N3)OC4=C(C=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H20ClN5O5/c1-32-20-13-15(3-5-19(20)33-18-6-4-16(23)14-17(18)28(30)31)21(29)26-9-11-27(12-10-26)22-24-7-2-8-25-22/h2-8,13-14H,9-12H2,1H3