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

Systemtic Name: 2-(2-chloranyl-4-nitro-phenoxy)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanone Openeye Name: 2-(2-chloro-4-nitro-phenoxy)-1-[4-(m-tolylmethyl)piperazin-1-yl]ethanone CAS Name: 2-(2-chloro-4-nitrophenoxy)-1-[4-[(3-methylphenyl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-(2-chloro-4-nitrophenoxy)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanone Traditional Name: 2-(2-chloro-4-nitro-phenoxy)-1-[4-(3-methylbenzyl)piperazino]ethanone Formula: C20H22ClN3O4 MolecularWeight: 403.85938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O4/c1-15-3-2-4-16(11-15)13-22-7-9-23(10-8-22)20(25)14-28-19-6-5-17(24(26)27)12-18(19)21/h2-6,11-12H,7-10,13-14H2,1H3