N-[(2S)-butan-2-yl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[(2S)-butan-2-yl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: 4-(4-methyl-1-piperidyl)-N-[(1S)-1-methylpropyl]-3-nitro-benzamide CAS Name: N-[(2S)-butan-2-yl]-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-[(2S)-butan-2-yl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: 4-(4-methylpiperidino)-N-[(1S)-1-methylpropyl]-3-nitro-benzamide Formula: C17H25N3O3 MolecularWeight: 319.3987

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC(=C(C=C1)N2CCC(CC2)C)[N+](=O)[O-]

Isomeric SMILES

CC[C@H](C)NC(=O)C1=CC(=C(C=C1)N2CCC(CC2)C)[N+](=O)[O-]

InChI

InChI=1S/C17H25N3O3/c1-4-13(3)18-17(21)14-5-6-15(16(11-14)20(22)23)19-9-7-12(2)8-10-19/h5-6,11-13H,4,7-10H2,1-3H3,(H,18,21)/t13-/m0/s1