pyridazin-4-yl 2-chloranyl-5-(2-cyclopropyl-6-methyl-phenoxy)-4-nitro-benzoate

Systemtic Name: pyridazin-4-yl 2-chloranyl-5-(2-cyclopropyl-6-methyl-phenoxy)-4-nitro-benzoate Openeye Name: pyridazin-4-yl 2-chloro-5-(2-cyclopropyl-6-methyl-phenoxy)-4-nitro-benzoate CAS Name: 2-chloro-5-(2-cyclopropyl-6-methylphenoxy)-4-nitrobenzoic acid 4-pyridazinyl ester IUPAC Name: pyridazin-4-yl 2-chloro-5-(2-cyclopropyl-6-methylphenoxy)-4-nitrobenzoate Traditional Name: 2-chloro-5-(2-cyclopropyl-6-methyl-phenoxy)-4-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)C(=O)OC3=CN=NC=C3)Cl)[N+](=O)[O-])C4CC4

Isomeric SMILES

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

InChI

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