[2-bromanyl-4-[(E)-2-cyano-3-[(2,6-dimethylphenyl)amino]-3-oxidanylidene-prop-1-enyl]-6-methoxy-phenyl] ethanoate

Systemtic Name: [2-bromanyl-4-[(E)-2-cyano-3-[(2,6-dimethylphenyl)amino]-3-oxidanylidene-prop-1-enyl]-6-methoxy-phenyl] ethanoate Openeye Name: [2-bromo-4-[(E)-2-cyano-3-(2,6-dimethylanilino)-3-oxo-prop-1-enyl]-6-methoxy-phenyl] acetate CAS Name: acetic acid [2-bromo-4-[(E)-2-cyano-3-(2,6-dimethylanilino)-3-oxoprop-1-enyl]-6-methoxyphenyl] ester IUPAC Name: [2-bromo-4-[(E)-2-cyano-3-(2,6-dimethylanilino)-3-oxoprop-1-enyl]-6-methoxyphenyl] acetate Traditional Name: acetic acid [2-bromo-4-[(E)-2-cyano-3-(2,6-dimethylanilino)-3-keto-prop-1-enyl]-6-methoxy-phenyl] ester Formula: C21H19BrN2O4 MolecularWeight: 443.29056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C(=CC2=CC(=C(C(=C2)Br)OC(=O)C)OC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrN2O4/c1-12-6-5-7-13(2)19(12)24-21(26)16(11-23)8-15-9-17(22)20(28-14(3)25)18(10-15)27-4/h5-10H,1-4H3,(H,24,26)/b16-8+