[2-bromanyl-4-[(E)-2-cyano-3-oxidanylidene-3-(oxolan-2-ylmethylamino)prop-1-enyl]-6-methoxy-phenyl] ethanoate

Systemtic Name: [2-bromanyl-4-[(E)-2-cyano-3-oxidanylidene-3-(oxolan-2-ylmethylamino)prop-1-enyl]-6-methoxy-phenyl] ethanoate Openeye Name: [2-bromo-4-[(E)-2-cyano-3-oxo-3-(tetrahydrofuran-2-ylmethylamino)prop-1-enyl]-6-methoxy-phenyl] acetate CAS Name: acetic acid [2-bromo-4-[(E)-2-cyano-3-oxo-3-(2-oxolanylmethylamino)prop-1-enyl]-6-methoxyphenyl] ester IUPAC Name: [2-bromo-4-[(E)-2-cyano-3-oxo-3-(oxolan-2-ylmethylamino)prop-1-enyl]-6-methoxyphenyl] acetate Traditional Name: acetic acid [2-bromo-4-[(E)-2-cyano-3-keto-3-(tetrahydrofurfurylamino)prop-1-enyl]-6-methoxy-phenyl] ester Formula: C18H19BrN2O5 MolecularWeight: 423.25786

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1Br)C=C(C#N)C(=O)NCC2CCCO2)OC

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1Br)/C=C(\C#N)/C(=O)NCC2CCCO2)OC

InChI

InChI=1S/C18H19BrN2O5/c1-11(22)26-17-15(19)7-12(8-16(17)24-2)6-13(9-20)18(23)21-10-14-4-3-5-25-14/h6-8,14H,3-5,10H2,1-2H3,(H,21,23)/b13-6+