N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-3,5-dinitro-benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-3,5-dinitro-benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-3,5-dinitro-benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-3,5-dinitrobenzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-3,5-dinitrobenzamide Traditional Name: 2-methyl-3,5-dinitro-N-piperonyl-benzamide Formula: C16H13N3O7 MolecularWeight: 359.29032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C(=O)NCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1C(=O)NCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O7/c1-9-12(5-11(18(21)22)6-13(9)19(23)24)16(20)17-7-10-2-3-14-15(4-10)26-8-25-14/h2-6H,7-8H2,1H3,(H,17,20)