propan-2-yl (E)-3-(4-bromanyl-3-nitro-phenyl)-2-cyano-prop-2-enoate

Systemtic Name: propan-2-yl (E)-3-(4-bromanyl-3-nitro-phenyl)-2-cyano-prop-2-enoate Openeye Name: isopropyl (E)-3-(4-bromo-3-nitro-phenyl)-2-cyano-prop-2-enoate CAS Name: (E)-3-(4-bromo-3-nitrophenyl)-2-cyano-2-propenoic acid propan-2-yl ester IUPAC Name: propan-2-yl (E)-3-(4-bromo-3-nitrophenyl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(4-bromo-3-nitro-phenyl)-2-cyano-acrylic acid isopropyl ester Formula: C13H11BrN2O4 MolecularWeight: 339.14144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(=CC1=CC(=C(C=C1)Br)[N+](=O)[O-])C#N

Isomeric SMILES

CC(C)OC(=O)/C(=C/C1=CC(=C(C=C1)Br)[N+](=O)[O-])/C#N

InChI

InChI=1S/C13H11BrN2O4/c1-8(2)20-13(17)10(7-15)5-9-3-4-11(14)12(6-9)16(18)19/h3-6,8H,1-2H3/b10-5+