[2-[(2E)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxidanylidene-ethyl]-propan-2-yl-azanium ethanoate

Systemtic Name: [2-[(2E)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxidanylidene-ethyl]-propan-2-yl-azanium ethanoate Openeye Name: isopropyl-[2-[(2E)-2-[(5-nitro-2-furyl)methylene]hydrazino]-2-oxo-ethyl]ammonium acetate CAS Name: [2-[(2E)-2-[(5-nitro-2-furanyl)methylidene]hydrazinyl]-2-oxoethyl]-propan-2-ylammonium acetate IUPAC Name: [2-[(2E)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]-propan-2-ylazanium acetate Traditional Name: isopropyl-[2-keto-2-[(N'E)-N'-[(5-nitro-2-furyl)methylene]hydrazino]ethyl]ammonium acetate Formula: C12H18N4O6 MolecularWeight: 314.29452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH2+]CC(=O)NN=CC1=CC=C(O1)[N+](=O)[O-].CC(=O)[O-]

Isomeric SMILES

CC(C)[NH2+]CC(=O)N/N=C/C1=CC=C(O1)[N+](=O)[O-].CC(=O)[O-]

InChI

InChI=1S/C10H14N4O4.C2H4O2/c1-7(2)11-6-9(15)13-12-5-8-3-4-10(18-8)14(16)17;1-2(3)4/h3-5,7,11H,6H2,1-2H3,(H,13,15);1H3,(H,3,4)/b12-5+;