4,6-bis(4-chloranyl-3-methyl-phenoxy)-5-nitro-pyrimidine

Systemtic Name: 4,6-bis(4-chloranyl-3-methyl-phenoxy)-5-nitro-pyrimidine Openeye Name: 4,6-bis(4-chloro-3-methyl-phenoxy)-5-nitro-pyrimidine CAS Name: 4,6-bis(4-chloro-3-methylphenoxy)-5-nitropyrimidine IUPAC Name: 4,6-bis(4-chloro-3-methylphenoxy)-5-nitropyrimidine Traditional Name: 4,6-bis(4-chloro-3-methyl-phenoxy)-5-nitro-pyrimidine Formula: C18H13Cl2N3O4 MolecularWeight: 406.21952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=C(C(=NC=N2)OC3=CC(=C(C=C3)Cl)C)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=C(C(=NC=N2)OC3=CC(=C(C=C3)Cl)C)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H13Cl2N3O4/c1-10-7-12(3-5-14(10)19)26-17-16(23(24)25)18(22-9-21-17)27-13-4-6-15(20)11(2)8-13/h3-9H,1-2H3