N-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethoxy]phenyl]-3-nitro-benzamide

Systemtic Name: N-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethoxy]phenyl]-3-nitro-benzamide Openeye Name: N-[4-[2-[(2S)-2-methyl-1-piperidyl]-2-oxo-ethoxy]phenyl]-3-nitro-benzamide CAS Name: N-[4-[2-[(2S)-2-methyl-1-piperidinyl]-2-oxoethoxy]phenyl]-3-nitrobenzamide IUPAC Name: N-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]phenyl]-3-nitrobenzamide Traditional Name: N-[4-[2-keto-2-[(2S)-2-methylpiperidino]ethoxy]phenyl]-3-nitro-benzamide Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)COC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCCN1C(=O)COC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O5/c1-15-5-2-3-12-23(15)20(25)14-29-19-10-8-17(9-11-19)22-21(26)16-6-4-7-18(13-16)24(27)28/h4,6-11,13,15H,2-3,5,12,14H2,1H3,(H,22,26)/t15-/m0/s1