N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,5-dimethyl-4-nitro-1-pyrazolyl)propanamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propionamide Formula: C16H18N4O5 MolecularWeight: 346.33792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC(=O)NC2=CC3=C(C=C2)OCCO3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)NC2=CC3=C(C=C2)OCCO3)C)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O5/c1-10-16(20(22)23)11(2)19(18-10)6-5-15(21)17-12-3-4-13-14(9-12)25-8-7-24-13/h3-4,9H,5-8H2,1-2H3,(H,17,21)