3-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-N-(2-methyl-3-nitro-phenyl)propanamide

Systemtic Name: 3-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-N-(2-methyl-3-nitro-phenyl)propanamide Openeye Name: 3-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-N-(2-methyl-3-nitro-phenyl)propanamide CAS Name: 3-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-N-(2-methyl-3-nitrophenyl)propanamide IUPAC Name: 3-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-N-(2-methyl-3-nitrophenyl)propanamide Traditional Name: 3-[4-(4-chloro-2-nitro-phenyl)piperazino]-N-(2-methyl-3-nitro-phenyl)propionamide Formula: C20H22ClN5O5 MolecularWeight: 447.87218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CCN2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CCN2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H22ClN5O5/c1-14-16(3-2-4-17(14)25(28)29)22-20(27)7-8-23-9-11-24(12-10-23)18-6-5-15(21)13-19(18)26(30)31/h2-6,13H,7-12H2,1H3,(H,22,27)