N-[(2S)-butan-2-yl]-4-methyl-3,5-dinitro-benzamide

Systemtic Name: N-[(2S)-butan-2-yl]-4-methyl-3,5-dinitro-benzamide Openeye Name: 4-methyl-N-[(1S)-1-methylpropyl]-3,5-dinitro-benzamide CAS Name: N-[(2S)-butan-2-yl]-4-methyl-3,5-dinitrobenzamide IUPAC Name: N-[(2S)-butan-2-yl]-4-methyl-3,5-dinitrobenzamide Traditional Name: 4-methyl-N-[(1S)-1-methylpropyl]-3,5-dinitro-benzamide Formula: C12H15N3O5 MolecularWeight: 281.2646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)NC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O5/c1-4-7(2)13-12(16)9-5-10(14(17)18)8(3)11(6-9)15(19)20/h5-7H,4H2,1-3H3,(H,13,16)/t7-/m0/s1