[4-[(E)-2-cyano-3-oxidanylidene-3-(propan-2-ylamino)prop-1-enyl]-2-methoxy-phenyl] 5-bromanylfuran-2-carboxylate

Systemtic Name: [4-[(E)-2-cyano-3-oxidanylidene-3-(propan-2-ylamino)prop-1-enyl]-2-methoxy-phenyl] 5-bromanylfuran-2-carboxylate Openeye Name: [4-[(E)-2-cyano-3-(isopropylamino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 5-bromofuran-2-carboxylate CAS Name: 5-bromo-2-furancarboxylic acid [4-[(E)-2-cyano-3-oxo-3-(propan-2-ylamino)prop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-oxo-3-(propan-2-ylamino)prop-1-enyl]-2-methoxyphenyl] 5-bromofuran-2-carboxylate Traditional Name: 5-bromofuran-2-carboxylic acid [4-[(E)-2-cyano-3-(isopropylamino)-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C19H17BrN2O5 MolecularWeight: 433.25268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(=CC1=CC(=C(C=C1)OC(=O)C2=CC=C(O2)Br)OC)C#N

Isomeric SMILES

CC(C)NC(=O)/C(=C/C1=CC(=C(C=C1)OC(=O)C2=CC=C(O2)Br)OC)/C#N

InChI

InChI=1S/C19H17BrN2O5/c1-11(2)22-18(23)13(10-21)8-12-4-5-14(16(9-12)25-3)27-19(24)15-6-7-17(20)26-15/h4-9,11H,1-3H3,(H,22,23)/b13-8+