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

Systemtic Name: N-(4-methyl-3-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-(4-methyl-3-nitro-phenyl)propanamide CAS Name: N-(4-methyl-3-nitrophenyl)-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]-1-piperazinyl]propanamide IUPAC Name: N-(4-methyl-3-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-(4-methyl-3-nitro-phenyl)propionamide Formula: C19H27N5O4 MolecularWeight: 389.44878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)N2CCN(CC2)CC(=O)NCC=C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)N2CCN(CC2)CC(=O)NCC=C)[N+](=O)[O-]

InChI

InChI=1S/C19H27N5O4/c1-4-7-20-18(25)13-22-8-10-23(11-9-22)15(3)19(26)21-16-6-5-14(2)17(12-16)24(27)28/h4-6,12,15H,1,7-11,13H2,2-3H3,(H,20,25)(H,21,26)