2-[4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]-N-(2-chloranyl-5-nitro-phenyl)propanamide

Systemtic Name: 2-[4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]-N-(2-chloranyl-5-nitro-phenyl)propanamide Openeye Name: 2-[4-[2-(tert-butylamino)-2-oxo-ethyl]piperazin-1-yl]-N-(2-chloro-5-nitro-phenyl)propanamide CAS Name: 2-[4-[2-(tert-butylamino)-2-oxoethyl]-1-piperazinyl]-N-(2-chloro-5-nitrophenyl)propanamide IUPAC Name: 2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-chloro-5-nitrophenyl)propanamide Traditional Name: 2-[4-[2-(tert-butylamino)-2-keto-ethyl]piperazino]-N-(2-chloro-5-nitro-phenyl)propionamide Formula: C19H28ClN5O4 MolecularWeight: 425.90972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)N2CCN(CC2)CC(=O)NC(C)(C)C

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)N2CCN(CC2)CC(=O)NC(C)(C)C

InChI

InChI=1S/C19H28ClN5O4/c1-13(18(27)21-16-11-14(25(28)29)5-6-15(16)20)24-9-7-23(8-10-24)12-17(26)22-19(2,3)4/h5-6,11,13H,7-10,12H2,1-4H3,(H,21,27)(H,22,26)