N-(3-methylbutyl)-2,4-dinitro-benzamide

Systemtic Name: N-(3-methylbutyl)-2,4-dinitro-benzamide Openeye Name: N-isopentyl-2,4-dinitro-benzamide CAS Name: N-(3-methylbutyl)-2,4-dinitrobenzamide IUPAC Name: N-(3-methylbutyl)-2,4-dinitrobenzamide Traditional Name: N-isoamyl-2,4-dinitro-benzamide Formula: C12H15N3O5 MolecularWeight: 281.2646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)CCNC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O5/c1-8(2)5-6-13-12(16)10-4-3-9(14(17)18)7-11(10)15(19)20/h3-4,7-8H,5-6H2,1-2H3,(H,13,16)