ethyl (E)-3-(2-azanyl-5-cyano-3-iodanyl-phenyl)prop-2-enoate

Systemtic Name: ethyl (E)-3-(2-azanyl-5-cyano-3-iodanyl-phenyl)prop-2-enoate Openeye Name: ethyl (E)-3-(2-amino-5-cyano-3-iodo-phenyl)prop-2-enoate CAS Name: (E)-3-(2-amino-5-cyano-3-iodophenyl)-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-(2-amino-5-cyano-3-iodophenyl)prop-2-enoate Traditional Name: (E)-3-(2-amino-5-cyano-3-iodo-phenyl)acrylic acid ethyl ester Formula: C12H11IN2O2 MolecularWeight: 342.13241

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=C(C(=CC(=C1)C#N)I)N

Isomeric SMILES

CCOC(=O)/C=C/C1=C(C(=CC(=C1)C#N)I)N

InChI

InChI=1S/C12H11IN2O2/c1-2-17-11(16)4-3-9-5-8(7-14)6-10(13)12(9)15/h3-6H,2,15H2,1H3/b4-3+