2-chloranyl-N-[(2S)-6-methylheptan-2-yl]-4-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[(2S)-6-methylheptan-2-yl]-4-nitro-benzamide Openeye Name: 2-chloro-N-[(1S)-1,5-dimethylhexyl]-4-nitro-benzamide CAS Name: 2-chloro-N-[(2S)-6-methylheptan-2-yl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-[(2S)-6-methylheptan-2-yl]-4-nitrobenzamide Traditional Name: 2-chloro-N-[(1S)-1,5-dimethylhexyl]-4-nitro-benzamide Formula: C15H21ClN2O3 MolecularWeight: 312.79184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21ClN2O3/c1-10(2)5-4-6-11(3)17-15(19)13-8-7-12(18(20)21)9-14(13)16/h7-11H,4-6H2,1-3H3,(H,17,19)/t11-/m0/s1