(E)-N-[2-(4-methylphenoxy)ethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide

Systemtic Name: (E)-N-[2-(4-methylphenoxy)ethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Openeye Name: (E)-N-[2-(4-methylphenoxy)ethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: (E)-N-[2-(4-methylphenoxy)ethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenamide IUPAC Name: (E)-N-[2-(4-methylphenoxy)ethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Traditional Name: (E)-N-[2-(4-methylphenoxy)ethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)acrylamide Formula: C19H18N2O6 MolecularWeight: 370.35602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O6/c1-13-2-5-15(6-3-13)25-9-8-20-19(22)7-4-14-10-17-18(27-12-26-17)11-16(14)21(23)24/h2-7,10-11H,8-9,12H2,1H3,(H,20,22)/b7-4+