(2R)-1-(azepan-1-yl)-2-[2-(4-methoxyphenyl)-4-nitro-phenoxy]propan-1-one

Systemtic Name: (2R)-1-(azepan-1-yl)-2-[2-(4-methoxyphenyl)-4-nitro-phenoxy]propan-1-one Openeye Name: (2R)-1-(azepan-1-yl)-2-[2-(4-methoxyphenyl)-4-nitro-phenoxy]propan-1-one CAS Name: (2R)-1-(1-azepanyl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-1-propanone IUPAC Name: (2R)-1-(azepan-1-yl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]propan-1-one Traditional Name: (2R)-1-(azepan-1-yl)-2-[2-(4-methoxyphenyl)-4-nitro-phenoxy]propan-1-one Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC2=C(C=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)OC

Isomeric SMILES

C[C@H](C(=O)N1CCCCCC1)OC2=C(C=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H26N2O5/c1-16(22(25)23-13-5-3-4-6-14-23)29-21-12-9-18(24(26)27)15-20(21)17-7-10-19(28-2)11-8-17/h7-12,15-16H,3-6,13-14H2,1-2H3/t16-/m1/s1