2-[2-bromanyl-6-chloranyl-4-[(Z)-2-cyano-3-[2-(1H-indol-3-yl)ethylamino]-3-oxidanylidene-prop-1-enyl]phenoxy]ethanoate

Systemtic Name: 2-[2-bromanyl-6-chloranyl-4-[(Z)-2-cyano-3-[2-(1H-indol-3-yl)ethylamino]-3-oxidanylidene-prop-1-enyl]phenoxy]ethanoate Openeye Name: 2-[2-bromo-6-chloro-4-[(Z)-2-cyano-3-[2-(1H-indol-3-yl)ethylamino]-3-oxo-prop-1-enyl]phenoxy]acetate CAS Name: 2-[2-bromo-6-chloro-4-[(Z)-2-cyano-3-[2-(1H-indol-3-yl)ethylamino]-3-oxoprop-1-enyl]phenoxy]acetate IUPAC Name: 2-[2-bromo-6-chloro-4-[(Z)-2-cyano-3-[2-(1H-indol-3-yl)ethylamino]-3-oxoprop-1-enyl]phenoxy]acetate Traditional Name: 2-[2-bromo-6-chloro-4-[(Z)-2-cyano-3-[2-(1H-indol-3-yl)ethylamino]-3-keto-prop-1-enyl]phenoxy]acetate Formula: C22H16BrClN3O4- MolecularWeight: 501.73714

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CCNC(=O)C(=CC3=CC(=C(C(=C3)Br)OCC(=O)[O-])Cl)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CCNC(=O)/C(=C\C3=CC(=C(C(=C3)Br)OCC(=O)[O-])Cl)/C#N

InChI

InChI=1S/C22H17BrClN3O4/c23-17-8-13(9-18(24)21(17)31-12-20(28)29)7-15(10-25)22(30)26-6-5-14-11-27-19-4-2-1-3-16(14)19/h1-4,7-9,11,27H,5-6,12H2,(H,26,30)(H,28,29)/p-1/b15-7-