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

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-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-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-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-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C16H16N4O7 MolecularWeight: 376.32084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3)C)[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O7/c1-9-16(20(23)24)10(2)19(18-9)6-15(22)25-7-14(21)17-11-3-4-12-13(5-11)27-8-26-12/h3-5H,6-8H2,1-2H3,(H,17,21)