4-[[2-bromanyl-4-[(Z)-2-cyano-3-oxidanylidene-3-(propan-2-ylamino)prop-1-enyl]-6-methoxy-phenoxy]methyl]benzoate

Systemtic Name: 4-[[2-bromanyl-4-[(Z)-2-cyano-3-oxidanylidene-3-(propan-2-ylamino)prop-1-enyl]-6-methoxy-phenoxy]methyl]benzoate Openeye Name: 4-[[2-bromo-4-[(Z)-2-cyano-3-(isopropylamino)-3-oxo-prop-1-enyl]-6-methoxy-phenoxy]methyl]benzoate CAS Name: 4-[[2-bromo-4-[(Z)-2-cyano-3-oxo-3-(propan-2-ylamino)prop-1-enyl]-6-methoxyphenoxy]methyl]benzoate IUPAC Name: 4-[[2-bromo-4-[(Z)-2-cyano-3-oxo-3-(propan-2-ylamino)prop-1-enyl]-6-methoxyphenoxy]methyl]benzoate Traditional Name: 4-[[2-bromo-4-[(Z)-2-cyano-3-(isopropylamino)-3-keto-prop-1-enyl]-6-methoxy-phenoxy]methyl]benzoate Formula: C22H20BrN2O5- MolecularWeight: 472.3086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(=CC1=CC(=C(C(=C1)Br)OCC2=CC=C(C=C2)C(=O)[O-])OC)C#N

Isomeric SMILES

CC(C)NC(=O)/C(=C\C1=CC(=C(C(=C1)Br)OCC2=CC=C(C=C2)C(=O)[O-])OC)/C#N

InChI

InChI=1S/C22H21BrN2O5/c1-13(2)25-21(26)17(11-24)8-15-9-18(23)20(19(10-15)29-3)30-12-14-4-6-16(7-5-14)22(27)28/h4-10,13H,12H2,1-3H3,(H,25,26)(H,27,28)/p-1/b17-8-