butyl (E)-3-[5-(4-chloranyl-3-nitro-phenyl)furan-2-yl]-2-cyano-prop-2-enoate

Systemtic Name: butyl (E)-3-[5-(4-chloranyl-3-nitro-phenyl)furan-2-yl]-2-cyano-prop-2-enoate Openeye Name: butyl (E)-3-[5-(4-chloro-3-nitro-phenyl)-2-furyl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[5-(4-chloro-3-nitrophenyl)-2-furanyl]-2-cyano-2-propenoic acid butyl ester IUPAC Name: butyl (E)-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[5-(4-chloro-3-nitro-phenyl)-2-furyl]-2-cyano-acrylic acid butyl ester Formula: C18H15ClN2O5 MolecularWeight: 374.7751

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(=CC1=CC=C(O1)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C#N

Isomeric SMILES

CCCCOC(=O)/C(=C/C1=CC=C(O1)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])/C#N

InChI

InChI=1S/C18H15ClN2O5/c1-2-3-8-25-18(22)13(11-20)9-14-5-7-17(26-14)12-4-6-15(19)16(10-12)21(23)24/h4-7,9-10H,2-3,8H2,1H3/b13-9+