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

Systemtic Name: 2-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-N-(2-ethoxyphenyl)propanamide Openeye Name: 2-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-N-(2-ethoxyphenyl)propanamide CAS Name: 2-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-N-(2-ethoxyphenyl)propanamide IUPAC Name: 2-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-N-(2-ethoxyphenyl)propanamide Traditional Name: 2-[4-(4-chloro-2-nitro-phenyl)piperazino]-N-o-phenetyl-propionamide Formula: C21H25ClN4O4 MolecularWeight: 432.9006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(C)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C(C)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H25ClN4O4/c1-3-30-20-7-5-4-6-17(20)23-21(27)15(2)24-10-12-25(13-11-24)18-9-8-16(22)14-19(18)26(28)29/h4-9,14-15H,3,10-13H2,1-2H3,(H,23,27)