methyl 5-bromanyl-2-[[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]amino]benzoate

Systemtic Name: methyl 5-bromanyl-2-[[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]amino]benzoate Openeye Name: methyl 5-bromo-2-[[(E)-2-cyano-3-ethoxy-3-oxo-prop-1-enyl]amino]benzoate CAS Name: 5-bromo-2-[[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 5-bromo-2-[[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]amino]benzoate Traditional Name: 5-bromo-2-[[(E)-2-cyano-3-ethoxy-3-keto-prop-1-enyl]amino]benzoic acid methyl ester Formula: C14H13BrN2O4 MolecularWeight: 353.16802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=C(C=C(C=C1)Br)C(=O)OC)C#N

Isomeric SMILES

CCOC(=O)/C(=C/NC1=C(C=C(C=C1)Br)C(=O)OC)/C#N

InChI

InChI=1S/C14H13BrN2O4/c1-3-21-13(18)9(7-16)8-17-12-5-4-10(15)6-11(12)14(19)20-2/h4-6,8,17H,3H2,1-2H3/b9-8+