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

Systemtic Name: (E)-N-butyl-3-[5-(4-chloranyl-2-nitro-phenyl)furan-2-yl]-2-cyano-prop-2-enamide Openeye Name: (E)-N-butyl-3-[5-(4-chloro-2-nitro-phenyl)-2-furyl]-2-cyano-prop-2-enamide CAS Name: (E)-N-butyl-3-[5-(4-chloro-2-nitrophenyl)-2-furanyl]-2-cyano-2-propenamide IUPAC Name: (E)-N-butyl-3-[5-(4-chloro-2-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enamide Traditional Name: (E)-N-butyl-3-[5-(4-chloro-2-nitro-phenyl)-2-furyl]-2-cyano-acrylamide Formula: C18H16ClN3O4 MolecularWeight: 373.79034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN3O4/c1-2-3-8-21-18(23)12(11-20)9-14-5-7-17(26-14)15-6-4-13(19)10-16(15)22(24)25/h4-7,9-10H,2-3,8H2,1H3,(H,21,23)/b12-9+