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

Systemtic Name: methyl (E)-4-(5-azanyl-2-chloranyl-phenyl)-3-methyl-but-3-enoate Openeye Name: methyl (E)-4-(5-amino-2-chloro-phenyl)-3-methyl-but-3-enoate CAS Name: (E)-4-(5-amino-2-chlorophenyl)-3-methyl-3-butenoic acid methyl ester IUPAC Name: methyl (E)-4-(5-amino-2-chlorophenyl)-3-methylbut-3-enoate Traditional Name: (E)-4-(5-amino-2-chloro-phenyl)-3-methyl-but-3-enoic acid methyl ester Formula: C12H14ClNO2 MolecularWeight: 239.69806

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=C(C=CC(=C1)N)Cl)CC(=O)OC

Isomeric SMILES

C/C(=C\C1=C(C=CC(=C1)N)Cl)/CC(=O)OC

InChI

InChI=1S/C12H14ClNO2/c1-8(6-12(15)16-2)5-9-7-10(14)3-4-11(9)13/h3-5,7H,6,14H2,1-2H3/b8-5+