2-[4-(2-chloranyl-4-nitro-phenyl)carbonylpiperazin-1-yl]-N-(2,3-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-(2-chloranyl-4-nitro-phenyl)carbonylpiperazin-1-yl]-N-(2,3-dimethylphenyl)ethanamide Openeye Name: 2-[4-(2-chloro-4-nitro-benzoyl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide CAS Name: 2-[4-[(2-chloro-4-nitrophenyl)-oxomethyl]-1-piperazinyl]-N-(2,3-dimethylphenyl)acetamide IUPAC Name: 2-[4-(2-chloro-4-nitrobenzoyl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide Traditional Name: 2-[4-(2-chloro-4-nitro-benzoyl)piperazino]-N-(2,3-dimethylphenyl)acetamide Formula: C21H23ClN4O4 MolecularWeight: 430.88472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN4O4/c1-14-4-3-5-19(15(14)2)23-20(27)13-24-8-10-25(11-9-24)21(28)17-7-6-16(26(29)30)12-18(17)22/h3-7,12H,8-11,13H2,1-2H3,(H,23,27)