methyl (E)-3-[4-bromanyl-1-(nitromethyl)-1H-isoquinolin-2-yl]prop-2-enoate

Systemtic Name: methyl (E)-3-[4-bromanyl-1-(nitromethyl)-1H-isoquinolin-2-yl]prop-2-enoate Openeye Name: methyl (E)-3-[4-bromo-1-(nitromethyl)-1H-isoquinolin-2-yl]prop-2-enoate CAS Name: (E)-3-[4-bromo-1-(nitromethyl)-1H-isoquinolin-2-yl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[4-bromo-1-(nitromethyl)-1H-isoquinolin-2-yl]prop-2-enoate Traditional Name: (E)-3-[4-bromo-1-(nitromethyl)-1H-isoquinolin-2-yl]acrylic acid methyl ester Formula: C14H13BrN2O4 MolecularWeight: 353.16802

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CN1C=C(C2=CC=CC=C2C1C[N+](=O)[O-])Br

Isomeric SMILES

COC(=O)/C=C/N1C=C(C2=CC=CC=C2C1C[N+](=O)[O-])Br

InChI

InChI=1S/C14H13BrN2O4/c1-21-14(18)6-7-16-8-12(15)10-4-2-3-5-11(10)13(16)9-17(19)20/h2-8,13H,9H2,1H3/b7-6+