methyl (E)-2-bromanyl-3-[2-chloranyl-5-[(2-cyanocyclohexen-1-yl)carbonylamino]phenyl]prop-2-enoate

Systemtic Name: methyl (E)-2-bromanyl-3-[2-chloranyl-5-[(2-cyanocyclohexen-1-yl)carbonylamino]phenyl]prop-2-enoate Openeye Name: methyl (E)-2-bromo-3-[2-chloro-5-[(2-cyanocyclohexene-1-carbonyl)amino]phenyl]prop-2-enoate CAS Name: (E)-2-bromo-3-[2-chloro-5-[[(2-cyano-1-cyclohexenyl)-oxomethyl]amino]phenyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-bromo-3-[2-chloro-5-[(2-cyanocyclohexene-1-carbonyl)amino]phenyl]prop-2-enoate Traditional Name: (E)-2-bromo-3-[2-chloro-5-[(2-cyanocyclohexene-1-carbonyl)amino]phenyl]acrylic acid methyl ester Formula: C18H16BrClN2O3 MolecularWeight: 423.68824

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC1=C(C=CC(=C1)NC(=O)C2=C(CCCC2)C#N)Cl)Br

Isomeric SMILES

COC(=O)/C(=C\C1=C(C=CC(=C1)NC(=O)C2=C(CCCC2)C#N)Cl)/Br

InChI

InChI=1S/C18H16BrClN2O3/c1-25-18(24)15(19)9-12-8-13(6-7-16(12)20)22-17(23)14-5-3-2-4-11(14)10-21/h6-9H,2-5H2,1H3,(H,22,23)/b15-9+