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

Systemtic Name: N-(2-methyl-3-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-3-nitro-phenyl)propanamide CAS Name: N-(2-methyl-3-nitrophenyl)-3-[4-[2-oxo-2-(prop-2-enylamino)ethyl]-1-piperazinyl]propanamide IUPAC Name: N-(2-methyl-3-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-3-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/c1-3-8-20-19(26)14-23-12-10-22(11-13-23)9-7-18(25)21-16-5-4-6-17(15(16)2)24(27)28/h3-6H,1,7-14H2,2H3,(H,20,26)(H,21,25)