1-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-3-prop-2-ynyl-pyridin-2-olate

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-3-prop-2-ynyl-pyridin-2-olate Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-oxo-3-prop-2-ynyl-pyridin-2-olate CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-oxo-3-prop-2-ynyl-2-pyridinolate IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-oxo-3-prop-2-ynylpyridin-2-olate Traditional Name: 4-keto-1-piperonyl-3-propargyl-pyridin-2-olate Formula: C16H12NO4- MolecularWeight: 282.27078

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Descriptors Computed from Structure

Canonical SMILES:

C#CCC1=C(N(C=CC1=O)CC2=CC3=C(C=C2)OCO3)[O-]

Isomeric SMILES

C#CCC1=C(N(C=CC1=O)CC2=CC3=C(C=C2)OCO3)[O-]

InChI

InChI=1S/C16H13NO4/c1-2-3-12-13(18)6-7-17(16(12)19)9-11-4-5-14-15(8-11)21-10-20-14/h1,4-8,19H,3,9-10H2/p-1