methyl 8-bromanyl-7-[[(E)-3-chloranylprop-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]naphthalene-2-carboxylate

Systemtic Name: methyl 8-bromanyl-7-[[(E)-3-chloranylprop-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]naphthalene-2-carboxylate Openeye Name: methyl 8-bromo-7-[tert-butoxycarbonyl-[(E)-3-chloroallyl]amino]naphthalene-2-carboxylate CAS Name: 8-bromo-7-[[(E)-3-chloroprop-2-enyl]-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-naphthalenecarboxylic acid methyl ester IUPAC Name: methyl 8-bromo-7-[[(E)-3-chloroprop-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]naphthalene-2-carboxylate Traditional Name: 8-bromo-7-[tert-butoxycarbonyl-[(E)-3-chloroallyl]amino]naphthalene-2-carboxylic acid methyl ester Formula: C20H21BrClNO4 MolecularWeight: 454.74204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CC=CCl)C1=C(C2=C(C=CC(=C2)C(=O)OC)C=C1)Br

Isomeric SMILES

CC(C)(C)OC(=O)N(C/C=C/Cl)C1=C(C2=C(C=CC(=C2)C(=O)OC)C=C1)Br

InChI

InChI=1S/C20H21BrClNO4/c1-20(2,3)27-19(25)23(11-5-10-22)16-9-8-13-6-7-14(18(24)26-4)12-15(13)17(16)21/h5-10,12H,11H2,1-4H3/b10-5+