N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]benzamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Formula: C21H20N4O5 MolecularWeight: 408.4073

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)OCCO4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)OCCO4)C)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O5/c1-13-20(25(27)28)14(2)24(23-13)12-15-5-3-4-6-17(15)21(26)22-16-7-8-18-19(11-16)30-10-9-29-18/h3-8,11H,9-10,12H2,1-2H3,(H,22,26)