1-cyanoethyl (E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoate

Systemtic Name: 1-cyanoethyl (E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoate Openeye Name: 1-cyanoethyl (E)-3-(4-chloro-3-nitro-phenyl)prop-2-enoate CAS Name: (E)-3-(4-chloro-3-nitrophenyl)-2-propenoic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl (E)-3-(4-chloro-3-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(4-chloro-3-nitro-phenyl)acrylic acid 1-cyanoethyl ester Formula: C12H9ClN2O4 MolecularWeight: 280.66386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9ClN2O4/c1-8(7-14)19-12(16)5-3-9-2-4-10(13)11(6-9)15(17)18/h2-6,8H,1H3/b5-3+