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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methyl-3-nitro-pyrazol-1-yl)propanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methyl-3-nitro-pyrazol-1-yl)propanamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methyl-3-nitro-1-pyrazolyl)propanamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methyl-3-nitropyrazol-1-yl)propanamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methyl-3-nitro-pyrazol-1-yl)propionamide Formula: C15H16N4O5 MolecularWeight: 332.31134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(C)C(=O)NC2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1C(C)C(=O)NC2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

InChI

InChI=1S/C15H16N4O5/c1-9-7-14(19(21)22)17-18(9)10(2)15(20)16-11-3-4-12-13(8-11)24-6-5-23-12/h3-4,7-8,10H,5-6H2,1-2H3,(H,16,20)