ethyl (E)-3-[3-bromanyl-5-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]-2-cyano-prop-2-enoate

Systemtic Name: ethyl (E)-3-[3-bromanyl-5-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]-2-cyano-prop-2-enoate Openeye Name: ethyl (E)-3-[3-bromo-5-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[3-bromo-5-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[3-bromo-5-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[3-bromo-5-ethoxy-4-(4-nitrobenzyl)oxy-phenyl]-2-cyano-acrylic acid ethyl ester Formula: C21H19BrN2O6 MolecularWeight: 475.28936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)OCC)Br)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)OCC)Br)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H19BrN2O6/c1-3-28-19-11-15(9-16(12-23)21(25)29-4-2)10-18(22)20(19)30-13-14-5-7-17(8-6-14)24(26)27/h5-11H,3-4,13H2,1-2H3/b16-9+