methyl (2E,4E)-5-(2-chloranyl-5-nitro-phenyl)-4-methyl-penta-2,4-dienoate

Systemtic Name: methyl (2E,4E)-5-(2-chloranyl-5-nitro-phenyl)-4-methyl-penta-2,4-dienoate Openeye Name: methyl (2E,4E)-5-(2-chloro-5-nitro-phenyl)-4-methyl-penta-2,4-dienoate CAS Name: (2E,4E)-5-(2-chloro-5-nitrophenyl)-4-methylpenta-2,4-dienoic acid methyl ester IUPAC Name: methyl (2E,4E)-5-(2-chloro-5-nitrophenyl)-4-methylpenta-2,4-dienoate Traditional Name: (2E,4E)-5-(2-chloro-5-nitro-phenyl)-4-methyl-penta-2,4-dienoic acid methyl ester Formula: C13H12ClNO4 MolecularWeight: 281.69168

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)C=CC(=O)OC

Isomeric SMILES

C/C(=C\C1=C(C=CC(=C1)[N+](=O)[O-])Cl)/C=C/C(=O)OC

InChI

InChI=1S/C13H12ClNO4/c1-9(3-6-13(16)19-2)7-10-8-11(15(17)18)4-5-12(10)14/h3-8H,1-2H3/b6-3+,9-7+