3-(2,5-dimethoxyphenyl)-2-(furan-3-ylamino)-3-methyl-1-oxidanylidene-pyrazolidin-1-ium-4-carbonitrile

Systemtic Name: 3-(2,5-dimethoxyphenyl)-2-(furan-3-ylamino)-3-methyl-1-oxidanylidene-pyrazolidin-1-ium-4-carbonitrile Openeye Name: 3-(2,5-dimethoxyphenyl)-2-(3-furylamino)-3-methyl-1-oxo-pyrazolidin-1-ium-4-carbonitrile CAS Name: 3-(2,5-dimethoxyphenyl)-2-(3-furanylamino)-3-methyl-1-oxo-4-pyrazolidin-1-iumcarbonitrile IUPAC Name: 3-(2,5-dimethoxyphenyl)-2-(furan-3-ylamino)-3-methyl-1-oxopyrazolidin-1-ium-4-carbonitrile Traditional Name: 3-(2,5-dimethoxyphenyl)-2-(3-furylamino)-1-keto-3-methyl-pyrazolidin-1-ium-4-carbonitrile Formula: C17H19N4O4+ MolecularWeight: 343.35716

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C[N+](=O)N1NC2=COC=C2)C#N)C3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CC1(C(C[N+](=O)N1NC2=COC=C2)C#N)C3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C17H19N4O4/c1-17(15-8-14(23-2)4-5-16(15)24-3)12(9-18)10-20(22)21(17)19-13-6-7-25-11-13/h4-8,11-12,19H,10H2,1-3H3/q+1