6-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylcarbamoyl]pyridazin-3-olate

Systemtic Name: 6-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylcarbamoyl]pyridazin-3-olate Openeye Name: 6-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylcarbamoyl]pyridazin-3-olate CAS Name: 6-[[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]-oxomethyl]-3-pyridazinolate IUPAC Name: 6-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylcarbamoyl]pyridazin-3-olate Traditional Name: 6-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylcarbamoyl]pyridazin-3-olate Formula: C15H13ClN3O4- MolecularWeight: 334.73442

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CNC(=O)C3=NN=C(C=C3)[O-])Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CNC(=O)C3=NN=C(C=C3)[O-])Cl)OC1

InChI

InChI=1S/C15H14ClN3O4/c16-10-6-9(7-12-14(10)23-5-1-4-22-12)8-17-15(21)11-2-3-13(20)19-18-11/h2-3,6-7H,1,4-5,8H2,(H,17,21)(H,19,20)/p-1