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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]benzamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]benzamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methyl-3-nitro-1-pyrazolyl)methyl]benzamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]benzamide Formula: C20H18N4O5 MolecularWeight: 394.38072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O5/c1-13-10-19(24(26)27)22-23(13)12-14-4-2-3-5-16(14)20(25)21-15-6-7-17-18(11-15)29-9-8-28-17/h2-7,10-11H,8-9,12H2,1H3,(H,21,25)