4-chloranyl-N-[(2S)-heptan-2-yl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[(2S)-heptan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[(1S)-1-methylhexyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[(2S)-heptan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[(2S)-heptan-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[(1S)-1-methylhexyl]-3-nitro-benzamide Formula: C14H19ClN2O3 MolecularWeight: 298.76526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19ClN2O3/c1-3-4-5-6-10(2)16-14(18)11-7-8-12(15)13(9-11)17(19)20/h7-10H,3-6H2,1-2H3,(H,16,18)/t10-/m0/s1