4-methyl-3-nitro-N-[3-[(1S)-1-oxidanylethyl]phenyl]benzamide

Systemtic Name: 4-methyl-3-nitro-N-[3-[(1S)-1-oxidanylethyl]phenyl]benzamide Openeye Name: N-[3-[(1S)-1-hydroxyethyl]phenyl]-4-methyl-3-nitro-benzamide CAS Name: N-[3-[(1S)-1-hydroxyethyl]phenyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[3-[(1S)-1-hydroxyethyl]phenyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[3-[(1S)-1-hydroxyethyl]phenyl]-4-methyl-3-nitro-benzamide Formula: C16H16N2O4 MolecularWeight: 300.30924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(C)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)[C@H](C)O)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O4/c1-10-6-7-13(9-15(10)18(21)22)16(20)17-14-5-3-4-12(8-14)11(2)19/h3-9,11,19H,1-2H3,(H,17,20)/t11-/m0/s1