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

Systemtic Name: (E)-N-(2-chloranyl-4,6-dimethyl-phenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Openeye Name: (E)-N-(2-chloro-4,6-dimethyl-phenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: (E)-N-(2-chloro-4,6-dimethylphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenamide IUPAC Name: (E)-N-(2-chloro-4,6-dimethylphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Traditional Name: (E)-N-(2-chloro-4,6-dimethyl-phenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)acrylamide Formula: C18H15ClN2O5 MolecularWeight: 374.7751

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=O)C=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClN2O5/c1-10-5-11(2)18(13(19)6-10)20-17(22)4-3-12-7-15-16(26-9-25-15)8-14(12)21(23)24/h3-8H,9H2,1-2H3,(H,20,22)/b4-3+