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

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-2-[4-[2-oxidanylidene-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanamide Openeye Name: 2-[4-[2-(allylamino)-2-oxo-ethyl]piperazin-1-yl]-N-(2-chloro-5-nitro-phenyl)propanamide CAS Name: N-(2-chloro-5-nitrophenyl)-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]-1-piperazinyl]propanamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanamide Traditional Name: 2-[4-[2-(allylamino)-2-keto-ethyl]piperazino]-N-(2-chloro-5-nitro-phenyl)propionamide Formula: C18H24ClN5O4 MolecularWeight: 409.86726

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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)NCC=C

Isomeric SMILES

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

InChI

InChI=1S/C18H24ClN5O4/c1-3-6-20-17(25)12-22-7-9-23(10-8-22)13(2)18(26)21-16-11-14(24(27)28)4-5-15(16)19/h3-5,11,13H,1,6-10,12H2,2H3,(H,20,25)(H,21,26)