(E)-3-(6-chloranyl-1,3-benzodioxol-5-yl)-2-cyano-N-(4-methyl-2-nitro-phenyl)prop-2-enamide

Systemtic Name: (E)-3-(6-chloranyl-1,3-benzodioxol-5-yl)-2-cyano-N-(4-methyl-2-nitro-phenyl)prop-2-enamide Openeye Name: (E)-3-(6-chloro-1,3-benzodioxol-5-yl)-2-cyano-N-(4-methyl-2-nitro-phenyl)prop-2-enamide CAS Name: (E)-3-(6-chloro-1,3-benzodioxol-5-yl)-2-cyano-N-(4-methyl-2-nitrophenyl)-2-propenamide IUPAC Name: (E)-3-(6-chloro-1,3-benzodioxol-5-yl)-2-cyano-N-(4-methyl-2-nitrophenyl)prop-2-enamide Traditional Name: (E)-3-(6-chloro-1,3-benzodioxol-5-yl)-2-cyano-N-(4-methyl-2-nitro-phenyl)acrylamide Formula: C18H12ClN3O5 MolecularWeight: 385.75798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(=CC2=CC3=C(C=C2Cl)OCO3)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)/C(=C/C2=CC3=C(C=C2Cl)OCO3)/C#N)[N+](=O)[O-]

InChI

InChI=1S/C18H12ClN3O5/c1-10-2-3-14(15(4-10)22(24)25)21-18(23)12(8-20)5-11-6-16-17(7-13(11)19)27-9-26-16/h2-7H,9H2,1H3,(H,21,23)/b12-5+