(E)-3-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]prop-2-enoic acid Openeye Name: (E)-3-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]prop-2-enoic acid CAS Name: (E)-3-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-4-pyrazolyl]-2-propenoic acid IUPAC Name: (E)-3-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazol-4-yl]prop-2-enoic acid Traditional Name: (E)-3-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]acrylic acid Formula: C16H16N2O4 MolecularWeight: 300.30924

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C=CC(=O)O

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)/C=C/C(=O)O

InChI

InChI=1S/C16H16N2O4/c1-18-10-12(4-6-15(19)20)16(17-18)11-3-5-13-14(9-11)22-8-2-7-21-13/h3-6,9-10H,2,7-8H2,1H3,(H,19,20)/b6-4+