2-(4-methoxy-2-nitro-phenoxy)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanone

Systemtic Name: 2-(4-methoxy-2-nitro-phenoxy)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanone Openeye Name: 2-(4-methoxy-2-nitro-phenoxy)-1-[4-(m-tolylmethyl)piperazin-1-yl]ethanone CAS Name: 2-(4-methoxy-2-nitrophenoxy)-1-[4-[(3-methylphenyl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-(4-methoxy-2-nitrophenoxy)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanone Traditional Name: 2-(4-methoxy-2-nitro-phenoxy)-1-[4-(3-methylbenzyl)piperazino]ethanone Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)COC3=C(C=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)COC3=C(C=C(C=C3)OC)[N+](=O)[O-]

InChI

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