[4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxidanylidene-prop-1-enyl]phenyl] 2-bromanyl-3,4,5-trimethoxy-benzoate

Systemtic Name: [4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxidanylidene-prop-1-enyl]phenyl] 2-bromanyl-3,4,5-trimethoxy-benzoate Openeye Name: [4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxo-prop-1-enyl]phenyl] 2-bromo-3,4,5-trimethoxy-benzoate CAS Name: 2-bromo-3,4,5-trimethoxybenzoic acid [4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxoprop-1-enyl]phenyl] 2-bromo-3,4,5-trimethoxybenzoate Traditional Name: 2-bromo-3,4,5-trimethoxy-benzoic acid [4-[(E)-2-cyano-3-keto-3-(2-methoxyethylamino)prop-1-enyl]phenyl] ester Formula: C23H23BrN2O7 MolecularWeight: 519.34192

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C(=CC1=CC=C(C=C1)OC(=O)C2=CC(=C(C(=C2Br)OC)OC)OC)C#N

Isomeric SMILES

COCCNC(=O)/C(=C/C1=CC=C(C=C1)OC(=O)C2=CC(=C(C(=C2Br)OC)OC)OC)/C#N

InChI

InChI=1S/C23H23BrN2O7/c1-29-10-9-26-22(27)15(13-25)11-14-5-7-16(8-6-14)33-23(28)17-12-18(30-2)20(31-3)21(32-4)19(17)24/h5-8,11-12H,9-10H2,1-4H3,(H,26,27)/b15-11+