N-(2-methyl-4-nitro-phenyl)-3-[4-[2-oxidanylidene-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanamide

Systemtic Name: N-(2-methyl-4-nitro-phenyl)-3-[4-[2-oxidanylidene-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanamide Openeye Name: 3-[4-[2-(allylamino)-2-oxo-ethyl]piperazin-1-yl]-N-(2-methyl-4-nitro-phenyl)propanamide CAS Name: N-(2-methyl-4-nitrophenyl)-3-[4-[2-oxo-2-(prop-2-enylamino)ethyl]-1-piperazinyl]propanamide IUPAC Name: N-(2-methyl-4-nitrophenyl)-3-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanamide Traditional Name: 3-[4-[2-(allylamino)-2-keto-ethyl]piperazino]-N-(2-methyl-4-nitro-phenyl)propionamide Formula: C19H27N5O4 MolecularWeight: 389.44878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N5O4/c1-3-7-20-19(26)14-23-11-9-22(10-12-23)8-6-18(25)21-17-5-4-16(24(27)28)13-15(17)2/h3-5,13H,1,6-12,14H2,2H3,(H,20,26)(H,21,25)