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

Systemtic Name: (E)-N-(3-chloranyl-2-methyl-phenyl)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Openeye Name: (E)-N-(3-chloro-2-methyl-phenyl)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: (E)-N-(3-chloro-2-methylphenyl)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenamide IUPAC Name: (E)-N-(3-chloro-2-methylphenyl)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Traditional Name: (E)-N-(3-chloro-2-methyl-phenyl)-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:

CC1=C(C=CC=C1Cl)NC(=O)C(=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C#N

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)/C(=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3)/C#N

InChI

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