N-[4-[[(2E)-2-(nitromethylidene)-4,5-dihydropyrimidin-3-yl]methyl]phenyl]ethanamide

Systemtic Name: N-[4-[[(2E)-2-(nitromethylidene)-4,5-dihydropyrimidin-3-yl]methyl]phenyl]ethanamide Openeye Name: N-[4-[[(2E)-2-(nitromethylene)-4,5-dihydropyrimidin-3-yl]methyl]phenyl]acetamide CAS Name: N-[4-[[(2E)-2-(nitromethylidene)-4,5-dihydropyrimidin-3-yl]methyl]phenyl]acetamide IUPAC Name: N-[4-[[(2E)-2-(nitromethylidene)-4,5-dihydropyrimidin-3-yl]methyl]phenyl]acetamide Traditional Name: N-[4-[[(2E)-2-(nitromethylene)-4,5-dihydropyrimidin-3-yl]methyl]phenyl]acetamide Formula: C14H16N4O3 MolecularWeight: 288.30184

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CN2CCC=NC2=C[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CN\2CCC=N/C2=C/[N+](=O)[O-]

InChI

InChI=1S/C14H16N4O3/c1-11(19)16-13-5-3-12(4-6-13)9-17-8-2-7-15-14(17)10-18(20)21/h3-7,10H,2,8-9H2,1H3,(H,16,19)/b14-10-