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

Systemtic Name: N-[4-[(2S)-butan-2-yl]phenyl]-4-methoxy-3-nitro-benzamide Openeye Name: 4-methoxy-N-[4-[(1S)-1-methylpropyl]phenyl]-3-nitro-benzamide CAS Name: N-[4-[(2S)-butan-2-yl]phenyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[4-[(2S)-butan-2-yl]phenyl]-4-methoxy-3-nitrobenzamide Traditional Name: 4-methoxy-N-[4-[(1S)-1-methylpropyl]phenyl]-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)NC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O4/c1-4-12(2)13-5-8-15(9-6-13)19-18(21)14-7-10-17(24-3)16(11-14)20(22)23/h5-12H,4H2,1-3H3,(H,19,21)/t12-/m0/s1