methyl (E)-4-(2-chloranyl-5-nitro-phenyl)-3-methyl-but-3-enoate

Systemtic Name: methyl (E)-4-(2-chloranyl-5-nitro-phenyl)-3-methyl-but-3-enoate Openeye Name: methyl (E)-4-(2-chloro-5-nitro-phenyl)-3-methyl-but-3-enoate CAS Name: (E)-4-(2-chloro-5-nitrophenyl)-3-methyl-3-butenoic acid methyl ester IUPAC Name: methyl (E)-4-(2-chloro-5-nitrophenyl)-3-methylbut-3-enoate Traditional Name: (E)-4-(2-chloro-5-nitro-phenyl)-3-methyl-but-3-enoic acid methyl ester Formula: C12H12ClNO4 MolecularWeight: 269.68098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12ClNO4/c1-8(6-12(15)18-2)5-9-7-10(14(16)17)3-4-11(9)13/h3-5,7H,6H2,1-2H3/b8-5+