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

Systemtic Name: [6-chloranyl-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] 3-nitrobenzoate Openeye Name: [6-chloro-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] 3-nitrobenzoate CAS Name: 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] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [6-chloro-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] ester Formula: C21H16ClN3O5 MolecularWeight: 425.82184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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