(E)-N-[(5-chloranylthiophen-2-yl)methyl]-3-(6-nitro-1,3-benzodioxol-5-yl)-N-prop-2-enyl-prop-2-enamide

Systemtic Name: (E)-N-[(5-chloranylthiophen-2-yl)methyl]-3-(6-nitro-1,3-benzodioxol-5-yl)-N-prop-2-enyl-prop-2-enamide Openeye Name: (E)-N-allyl-N-[(5-chloro-2-thienyl)methyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: (E)-N-[(5-chloro-2-thiophenyl)methyl]-3-(6-nitro-1,3-benzodioxol-5-yl)-N-prop-2-enyl-2-propenamide IUPAC Name: (E)-N-[(5-chlorothiophen-2-yl)methyl]-3-(6-nitro-1,3-benzodioxol-5-yl)-N-prop-2-enylprop-2-enamide Traditional Name: (E)-N-allyl-N-[(5-chloro-2-thienyl)methyl]-3-(6-nitro-1,3-benzodioxol-5-yl)acrylamide Formula: C18H15ClN2O5S MolecularWeight: 406.8401

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC1=CC=C(S1)Cl)C(=O)C=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

C=CCN(CC1=CC=C(S1)Cl)C(=O)/C=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C18H15ClN2O5S/c1-2-7-20(10-13-4-5-17(19)27-13)18(22)6-3-12-8-15-16(26-11-25-15)9-14(12)21(23)24/h2-6,8-9H,1,7,10-11H2/b6-3+