[6-chloranyl-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] 4-chloranyl-3-nitro-benzoate

Systemtic Name: [6-chloranyl-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] 4-chloranyl-3-nitro-benzoate Openeye Name: [6-chloro-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [6-chloro-3-(2-cyclopropyl-6-methylphenoxy)-4-pyridazinyl] ester IUPAC Name: [6-chloro-3-(2-cyclopropyl-6-methylphenoxy)pyridazin-4-yl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [6-chloro-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] ester Formula: C21H15Cl2N3O5 MolecularWeight: 460.2669

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC2=NN=C(C=C2OC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])Cl)C4CC4

Isomeric SMILES

CC1=CC=CC(=C1OC2=NN=C(C=C2OC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])Cl)C4CC4

InChI

InChI=1S/C21H15Cl2N3O5/c1-11-3-2-4-14(12-5-6-12)19(11)31-20-17(10-18(23)24-25-20)30-21(27)13-7-8-15(22)16(9-13)26(28)29/h2-4,7-10,12H,5-6H2,1H3