5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazole-4-carbaldehyde

Systemtic Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazole-4-carbaldehyde Openeye Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazole-4-carbaldehyde CAS Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazole-4-carboxaldehyde IUPAC Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazole-4-carbaldehyde Traditional Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazole-4-carbaldehyde Formula: C13H12N2O3 MolecularWeight: 244.24598

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C3=C(C=NN3)C=O)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C3=C(C=NN3)C=O)OC1

InChI

InChI=1S/C13H12N2O3/c16-8-10-7-14-15-13(10)9-2-3-11-12(6-9)18-5-1-4-17-11/h2-3,6-8H,1,4-5H2,(H,14,15)