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

Systemtic Name: N-(2-methoxy-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-methoxy-5-nitro-phenyl)propanamide CAS Name: N-(2-methoxy-5-nitrophenyl)-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]-1-piperazinyl]propanamide IUPAC Name: N-(2-methoxy-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-methoxy-5-nitro-phenyl)propionamide Formula: C19H27N5O5 MolecularWeight: 405.44818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N5O5/c1-4-7-20-18(25)13-22-8-10-23(11-9-22)14(2)19(26)21-16-12-15(24(27)28)5-6-17(16)29-3/h4-6,12,14H,1,7-11,13H2,2-3H3,(H,20,25)(H,21,26)