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

Systemtic Name: carbamic acid; methyl (E)-2-bromanyl-3-[2-chloranyl-5-(2-cyanocyclohexen-1-yl)phenyl]prop-2-enoate Openeye Name: carbamic acid; methyl (E)-2-bromo-3-[2-chloro-5-(2-cyanocyclohexen-1-yl)phenyl]prop-2-enoate CAS Name: (E)-2-bromo-3-[2-chloro-5-(2-cyano-1-cyclohexenyl)phenyl]-2-propenoic acid methyl ester; carbamic acid IUPAC Name: carbamic acid; methyl (E)-2-bromo-3-[2-chloro-5-(2-cyanocyclohexen-1-yl)phenyl]prop-2-enoate Traditional Name: (E)-2-bromo-3-[2-chloro-5-(2-cyanocyclohexen-1-yl)phenyl]acrylic acid methyl ester; carbamic acid Formula: C18H18BrClN2O4 MolecularWeight: 441.70352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrClNO2.CH3NO2/c1-22-17(21)15(18)9-13-8-11(6-7-16(13)19)14-5-3-2-4-12(14)10-20;2-1(3)4/h6-9H,2-5H2,1H3;2H2,(H,3,4)/b15-9+;