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

Systemtic Name: pyridazin-4-yl 6-chloranyl-3-(2-cyclopropyl-6-methyl-phenoxy)-2-nitro-benzoate Openeye Name: pyridazin-4-yl 6-chloro-3-(2-cyclopropyl-6-methyl-phenoxy)-2-nitro-benzoate CAS Name: 6-chloro-3-(2-cyclopropyl-6-methylphenoxy)-2-nitrobenzoic acid 4-pyridazinyl ester IUPAC Name: pyridazin-4-yl 6-chloro-3-(2-cyclopropyl-6-methylphenoxy)-2-nitrobenzoate Traditional Name: 6-chloro-3-(2-cyclopropyl-6-methyl-phenoxy)-2-nitro-benzoic acid pyridazin-4-yl ester Formula: C21H16ClN3O5 MolecularWeight: 425.82184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC2=C(C(=C(C=C2)Cl)C(=O)OC3=CN=NC=C3)[N+](=O)[O-])C4CC4

Isomeric SMILES

CC1=CC=CC(=C1OC2=C(C(=C(C=C2)Cl)C(=O)OC3=CN=NC=C3)[N+](=O)[O-])C4CC4

InChI

InChI=1S/C21H16ClN3O5/c1-12-3-2-4-15(13-5-6-13)20(12)30-17-8-7-16(22)18(19(17)25(27)28)21(26)29-14-9-10-23-24-11-14/h2-4,7-11,13H,5-6H2,1H3