2-(2,3-dimethylphenoxy)-N-(3-nitro-4-piperazin-1-yl-phenyl)ethanamide

Systemtic Name: 2-(2,3-dimethylphenoxy)-N-(3-nitro-4-piperazin-1-yl-phenyl)ethanamide Openeye Name: 2-(2,3-dimethylphenoxy)-N-(3-nitro-4-piperazin-1-yl-phenyl)acetamide CAS Name: 2-(2,3-dimethylphenoxy)-N-[3-nitro-4-(1-piperazinyl)phenyl]acetamide IUPAC Name: 2-(2,3-dimethylphenoxy)-N-(3-nitro-4-piperazin-1-ylphenyl)acetamide Traditional Name: 2-(2,3-dimethylphenoxy)-N-(3-nitro-4-piperazino-phenyl)acetamide Formula: C20H24N4O4 MolecularWeight: 384.42896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OCC(=O)NC2=CC(=C(C=C2)N3CCNCC3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)OCC(=O)NC2=CC(=C(C=C2)N3CCNCC3)[N+](=O)[O-])C

InChI

InChI=1S/C20H24N4O4/c1-14-4-3-5-19(15(14)2)28-13-20(25)22-16-6-7-17(18(12-16)24(26)27)23-10-8-21-9-11-23/h3-7,12,21H,8-11,13H2,1-2H3,(H,22,25)