(4-ethoxyphenyl)-[4-[(3R)-3-methylpiperidin-1-yl]-3-nitro-phenyl]methanone

Systemtic Name: (4-ethoxyphenyl)-[4-[(3R)-3-methylpiperidin-1-yl]-3-nitro-phenyl]methanone Openeye Name: (4-ethoxyphenyl)-[4-[(3R)-3-methyl-1-piperidyl]-3-nitro-phenyl]methanone CAS Name: (4-ethoxyphenyl)-[4-[(3R)-3-methyl-1-piperidinyl]-3-nitrophenyl]methanone IUPAC Name: (4-ethoxyphenyl)-[4-[(3R)-3-methylpiperidin-1-yl]-3-nitrophenyl]methanone Traditional Name: [4-[(3R)-3-methylpiperidino]-3-nitro-phenyl]-p-phenetyl-methanone Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)N3CCCC(C3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)N3CCC[C@H](C3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O4/c1-3-27-18-9-6-16(7-10-18)21(24)17-8-11-19(20(13-17)23(25)26)22-12-4-5-15(2)14-22/h6-11,13,15H,3-5,12,14H2,1-2H3/t15-/m1/s1