[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(3-methyl-2-nitro-phenyl)methanone

Systemtic Name: [4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(3-methyl-2-nitro-phenyl)methanone Openeye Name: [4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(3-methyl-2-nitro-phenyl)methanone CAS Name: [4-[2-(4-methoxyphenoxy)ethyl]-1-piperazinyl]-(3-methyl-2-nitrophenyl)methanone IUPAC Name: [4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(3-methyl-2-nitrophenyl)methanone Traditional Name: [4-[2-(4-methoxyphenoxy)ethyl]piperazino]-(3-methyl-2-nitro-phenyl)methanone Formula: C21H25N3O5 MolecularWeight: 399.4403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)N2CCN(CC2)CCOC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)N2CCN(CC2)CCOC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H25N3O5/c1-16-4-3-5-19(20(16)24(26)27)21(25)23-12-10-22(11-13-23)14-15-29-18-8-6-17(28-2)7-9-18/h3-9H,10-15H2,1-2H3