N-[4-chloranyl-6-methyl-5-[(E)-4-(4-nitrophenyl)but-3-enyl]pyrimidin-2-yl]ethanamide

Systemtic Name: N-[4-chloranyl-6-methyl-5-[(E)-4-(4-nitrophenyl)but-3-enyl]pyrimidin-2-yl]ethanamide Openeye Name: N-[4-chloro-6-methyl-5-[(E)-4-(4-nitrophenyl)but-3-enyl]pyrimidin-2-yl]acetamide CAS Name: N-[4-chloro-6-methyl-5-[(E)-4-(4-nitrophenyl)but-3-enyl]-2-pyrimidinyl]acetamide IUPAC Name: N-[4-chloro-6-methyl-5-[(E)-4-(4-nitrophenyl)but-3-enyl]pyrimidin-2-yl]acetamide Traditional Name: N-[4-chloro-6-methyl-5-[(E)-4-(4-nitrophenyl)but-3-enyl]pyrimidin-2-yl]acetamide Formula: C17H17ClN4O3 MolecularWeight: 360.79488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)NC(=O)C)Cl)CCC=CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)NC(=O)C)Cl)CC/C=C/C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H17ClN4O3/c1-11-15(16(18)21-17(19-11)20-12(2)23)6-4-3-5-13-7-9-14(10-8-13)22(24)25/h3,5,7-10H,4,6H2,1-2H3,(H,19,20,21,23)/b5-3+