[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate

Systemtic Name: [2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: [2-(2-furylmethylamino)-2-oxo-ethyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetate CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetic acid [2-(2-furfurylamino)-2-keto-ethyl] ester Formula: C14H16N4O6 MolecularWeight: 336.30004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)OCC(=O)NCC2=CC=CO2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)OCC(=O)NCC2=CC=CO2)C)[N+](=O)[O-]

InChI

InChI=1S/C14H16N4O6/c1-9-14(18(21)22)10(2)17(16-9)7-13(20)24-8-12(19)15-6-11-4-3-5-23-11/h3-5H,6-8H2,1-2H3,(H,15,19)