N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-3-nitro-4-(1,2,4-triazol-1-yl)benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-3-nitro-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-3-nitro-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-methyl-3-nitro-N-piperonyl-4-(1,2,4-triazol-1-yl)benzamide Formula: C18H15N5O5 MolecularWeight: 381.3422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=C(C=C1)OCO2)C(=O)C3=CC(=C(C=C3)N4C=NC=N4)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC2=C(C=C1)OCO2)C(=O)C3=CC(=C(C=C3)N4C=NC=N4)[N+](=O)[O-]

InChI

InChI=1S/C18H15N5O5/c1-21(8-12-2-5-16-17(6-12)28-11-27-16)18(24)13-3-4-14(15(7-13)23(25)26)22-10-19-9-20-22/h2-7,9-10H,8,11H2,1H3