(phenylmethyl) (E)-3-(5-chloranyl-2-nitro-phenyl)-2-cyano-prop-2-enoate

Systemtic Name: (phenylmethyl) (E)-3-(5-chloranyl-2-nitro-phenyl)-2-cyano-prop-2-enoate Openeye Name: benzyl (E)-3-(5-chloro-2-nitro-phenyl)-2-cyano-prop-2-enoate CAS Name: (E)-3-(5-chloro-2-nitrophenyl)-2-cyano-2-propenoic acid (phenylmethyl) ester IUPAC Name: benzyl (E)-3-(5-chloro-2-nitrophenyl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(5-chloro-2-nitro-phenyl)-2-cyano-acrylic acid benzyl ester Formula: C17H11ClN2O4 MolecularWeight: 342.73324

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(=CC2=C(C=CC(=C2)Cl)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)/C(=C/C2=C(C=CC(=C2)Cl)[N+](=O)[O-])/C#N

InChI

InChI=1S/C17H11ClN2O4/c18-15-6-7-16(20(22)23)13(9-15)8-14(10-19)17(21)24-11-12-4-2-1-3-5-12/h1-9H,11H2/b14-8+