methyl (Z)-3-[[2-aminocarbonyl-4-(3-chlorophenyl)cyclohexen-1-yl]carbonylamino]-2-bromanyl-prop-2-enoate

Systemtic Name: methyl (Z)-3-[[2-aminocarbonyl-4-(3-chlorophenyl)cyclohexen-1-yl]carbonylamino]-2-bromanyl-prop-2-enoate Openeye Name: methyl (Z)-2-bromo-3-[[2-carbamoyl-4-(3-chlorophenyl)cyclohexene-1-carbonyl]amino]prop-2-enoate CAS Name: (Z)-2-bromo-3-[[[2-carbamoyl-4-(3-chlorophenyl)-1-cyclohexenyl]-oxomethyl]amino]-2-propenoic acid methyl ester IUPAC Name: methyl (Z)-2-bromo-3-[[2-carbamoyl-4-(3-chlorophenyl)cyclohexene-1-carbonyl]amino]prop-2-enoate Traditional Name: (Z)-2-bromo-3-[[2-carbamoyl-4-(3-chlorophenyl)cyclohexene-1-carbonyl]amino]acrylic acid methyl ester Formula: C18H18BrClN2O4 MolecularWeight: 441.70352

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CNC(=O)C1=C(CC(CC1)C2=CC(=CC=C2)Cl)C(=O)N)Br

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrClN2O4/c1-26-18(25)15(19)9-22-17(24)13-6-5-11(8-14(13)16(21)23)10-3-2-4-12(20)7-10/h2-4,7,9,11H,5-6,8H2,1H3,(H2,21,23)(H,22,24)/b15-9-