2-methyl-N-(2-methylpropyl)-3,5-dinitro-benzamide

Systemtic Name: 2-methyl-N-(2-methylpropyl)-3,5-dinitro-benzamide Openeye Name: N-isobutyl-2-methyl-3,5-dinitro-benzamide CAS Name: 2-methyl-N-(2-methylpropyl)-3,5-dinitrobenzamide IUPAC Name: 2-methyl-N-(2-methylpropyl)-3,5-dinitrobenzamide Traditional Name: N-isobutyl-2-methyl-3,5-dinitro-benzamide Formula: C12H15N3O5 MolecularWeight: 281.2646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C(=O)NCC(C)C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1C(=O)NCC(C)C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O5/c1-7(2)6-13-12(16)10-4-9(14(17)18)5-11(8(10)3)15(19)20/h4-5,7H,6H2,1-3H3,(H,13,16)