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

Systemtic Name: (E)-3-(4-chloranyl-3-nitro-phenyl)-N-(6-ethanoyl-1,3-benzodioxol-5-yl)prop-2-enamide Openeye Name: (E)-N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(4-chloro-3-nitro-phenyl)prop-2-enamide CAS Name: (E)-N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(4-chloro-3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(4-chloro-3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(4-chloro-3-nitro-phenyl)acrylamide Formula: C18H13ClN2O6 MolecularWeight: 388.75862

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)C=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-])OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)/C=C/C3=CC(=C(C=C3)Cl)[N+](=O)[O-])OCO2

InChI

InChI=1S/C18H13ClN2O6/c1-10(22)12-7-16-17(27-9-26-16)8-14(12)20-18(23)5-3-11-2-4-13(19)15(6-11)21(24)25/h2-8H,9H2,1H3,(H,20,23)/b5-3+