N-[5-[(2S)-butan-2-yl]-2-oxidanyl-phenyl]-2-methyl-3-nitro-benzamide

Systemtic Name: N-[5-[(2S)-butan-2-yl]-2-oxidanyl-phenyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[2-hydroxy-5-[(1S)-1-methylpropyl]phenyl]-2-methyl-3-nitro-benzamide CAS Name: N-[5-[(2S)-butan-2-yl]-2-hydroxyphenyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[5-[(2S)-butan-2-yl]-2-hydroxyphenyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[2-hydroxy-5-[(1S)-1-methylpropyl]phenyl]-2-methyl-3-nitro-benzamide Formula: C18H20N2O4 MolecularWeight: 328.3624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O4/c1-4-11(2)13-8-9-17(21)15(10-13)19-18(22)14-6-5-7-16(12(14)3)20(23)24/h5-11,21H,4H2,1-3H3,(H,19,22)/t11-/m0/s1