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

Systemtic Name: butyl (E)-3-(2-chloranyl-5-nitro-phenyl)-2-cyano-prop-2-enoate Openeye Name: butyl (E)-3-(2-chloro-5-nitro-phenyl)-2-cyano-prop-2-enoate CAS Name: (E)-3-(2-chloro-5-nitrophenyl)-2-cyano-2-propenoic acid butyl ester IUPAC Name: butyl (E)-3-(2-chloro-5-nitrophenyl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(2-chloro-5-nitro-phenyl)-2-cyano-acrylic acid butyl ester Formula: C14H13ClN2O4 MolecularWeight: 308.71702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13ClN2O4/c1-2-3-6-21-14(18)11(9-16)7-10-8-12(17(19)20)4-5-13(10)15/h4-5,7-8H,2-3,6H2,1H3/b11-7+