(E)-3-(4-chloranyl-3-nitro-phenyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide

Systemtic Name: (E)-3-(4-chloranyl-3-nitro-phenyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide Openeye Name: (E)-3-(4-chloro-3-nitro-phenyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide CAS Name: (E)-3-(4-chloro-3-nitrophenyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propenamide IUPAC Name: (E)-3-(4-chloro-3-nitrophenyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide Traditional Name: (E)-3-(4-chloro-3-nitro-phenyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acrylamide Formula: C18H12ClN3O5 MolecularWeight: 385.75798

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)C(=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-])C#N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)/C(=C/C3=CC(=C(C=C3)Cl)[N+](=O)[O-])/C#N

InChI

InChI=1S/C18H12ClN3O5/c19-14-3-1-11(8-15(14)22(24)25)7-12(10-20)18(23)21-13-2-4-16-17(9-13)27-6-5-26-16/h1-4,7-9H,5-6H2,(H,21,23)/b12-7+