3-methyl-4-nitro-N-[(2S)-2-oxidanyl-2-phenyl-ethyl]benzamide

Systemtic Name: 3-methyl-4-nitro-N-[(2S)-2-oxidanyl-2-phenyl-ethyl]benzamide Openeye Name: N-[(2S)-2-hydroxy-2-phenyl-ethyl]-3-methyl-4-nitro-benzamide CAS Name: N-[(2S)-2-hydroxy-2-phenylethyl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[(2S)-2-hydroxy-2-phenylethyl]-3-methyl-4-nitrobenzamide Traditional Name: N-[(2S)-2-hydroxy-2-phenyl-ethyl]-3-methyl-4-nitro-benzamide Formula: C16H16N2O4 MolecularWeight: 300.30924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O4/c1-11-9-13(7-8-14(11)18(21)22)16(20)17-10-15(19)12-5-3-2-4-6-12/h2-9,15,19H,10H2,1H3,(H,17,20)/t15-/m1/s1