N-[4-[(2S)-butan-2-yl]phenyl]-3-methyl-2-nitro-benzamide

Systemtic Name: N-[4-[(2S)-butan-2-yl]phenyl]-3-methyl-2-nitro-benzamide Openeye Name: 3-methyl-N-[4-[(1S)-1-methylpropyl]phenyl]-2-nitro-benzamide CAS Name: N-[4-[(2S)-butan-2-yl]phenyl]-3-methyl-2-nitrobenzamide IUPAC Name: N-[4-[(2S)-butan-2-yl]phenyl]-3-methyl-2-nitrobenzamide Traditional Name: 3-methyl-N-[4-[(1S)-1-methylpropyl]phenyl]-2-nitro-benzamide Formula: C18H20N2O3 MolecularWeight: 312.363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O3/c1-4-12(2)14-8-10-15(11-9-14)19-18(21)16-7-5-6-13(3)17(16)20(22)23/h5-12H,4H2,1-3H3,(H,19,21)/t12-/m0/s1