2-(4-bromanylphenoxy)-2-methyl-N-(3-nitro-4-piperazin-1-yl-phenyl)propanamide

Systemtic Name: 2-(4-bromanylphenoxy)-2-methyl-N-(3-nitro-4-piperazin-1-yl-phenyl)propanamide Openeye Name: 2-(4-bromophenoxy)-2-methyl-N-(3-nitro-4-piperazin-1-yl-phenyl)propanamide CAS Name: 2-(4-bromophenoxy)-2-methyl-N-[3-nitro-4-(1-piperazinyl)phenyl]propanamide IUPAC Name: 2-(4-bromophenoxy)-2-methyl-N-(3-nitro-4-piperazin-1-ylphenyl)propanamide Traditional Name: 2-(4-bromophenoxy)-2-methyl-N-(3-nitro-4-piperazino-phenyl)propionamide Formula: C20H23BrN4O4 MolecularWeight: 463.32502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC1=CC(=C(C=C1)N2CCNCC2)[N+](=O)[O-])OC3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)(C(=O)NC1=CC(=C(C=C1)N2CCNCC2)[N+](=O)[O-])OC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H23BrN4O4/c1-20(2,29-16-6-3-14(21)4-7-16)19(26)23-15-5-8-17(18(13-15)25(27)28)24-11-9-22-10-12-24/h3-8,13,22H,9-12H2,1-2H3,(H,23,26)