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

Systemtic Name: 2-methoxyethyl (E)-3-(4-bromanyl-3-nitro-phenyl)-2-cyano-prop-2-enoate Openeye Name: 2-methoxyethyl (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 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (E)-3-(4-bromo-3-nitrophenyl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(4-bromo-3-nitro-phenyl)-2-cyano-acrylic acid 2-methoxyethyl ester Formula: C13H11BrN2O5 MolecularWeight: 355.14084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11BrN2O5/c1-20-4-5-21-13(17)10(8-15)6-9-2-3-11(14)12(7-9)16(18)19/h2-3,6-7H,4-5H2,1H3/b10-6+