N-[5-[(2S)-butan-2-yl]-2-oxidanyl-phenyl]-2-chloranyl-4-nitro-benzamide

Systemtic Name: N-[5-[(2S)-butan-2-yl]-2-oxidanyl-phenyl]-2-chloranyl-4-nitro-benzamide Openeye Name: 2-chloro-N-[2-hydroxy-5-[(1S)-1-methylpropyl]phenyl]-4-nitro-benzamide CAS Name: N-[5-[(2S)-butan-2-yl]-2-hydroxyphenyl]-2-chloro-4-nitrobenzamide IUPAC Name: N-[5-[(2S)-butan-2-yl]-2-hydroxyphenyl]-2-chloro-4-nitrobenzamide Traditional Name: 2-chloro-N-[2-hydroxy-5-[(1S)-1-methylpropyl]phenyl]-4-nitro-benzamide Formula: C17H17ClN2O4 MolecularWeight: 348.78088

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=C(C=C1)O)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC[C@H](C)C1=CC(=C(C=C1)O)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H17ClN2O4/c1-3-10(2)11-4-7-16(21)15(8-11)19-17(22)13-6-5-12(20(23)24)9-14(13)18/h4-10,21H,3H2,1-2H3,(H,19,22)/t10-/m0/s1