(Z)-N-[(4-chlorophenyl)methyl]-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide

Systemtic Name: (Z)-N-[(4-chlorophenyl)methyl]-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Openeye Name: (Z)-N-[(4-chlorophenyl)methyl]-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: (Z)-N-[(4-chlorophenyl)methyl]-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenamide IUPAC Name: (Z)-N-[(4-chlorophenyl)methyl]-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Traditional Name: (Z)-N-(4-chlorobenzyl)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)acrylamide Formula: C18H12ClN3O5 MolecularWeight: 385.75798

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=C(C#N)C(=O)NCC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=C(/C#N)\C(=O)NCC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H12ClN3O5/c19-14-3-1-11(2-4-14)9-21-18(23)13(8-20)5-12-6-16-17(27-10-26-16)7-15(12)22(24)25/h1-7H,9-10H2,(H,21,23)/b13-5-