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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCCO4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=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)12-15-3-5-16(6-4-15)21(26)22-17-7-8-18-19(11-17)30-10-9-29-18/h3-8,11H,9-10,12H2,1-2H3,(H,22,26)