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

Systemtic Name: (E)-N-[2-(3-methylphenoxy)ethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Openeye Name: (E)-N-[2-(3-methylphenoxy)ethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: (E)-N-[2-(3-methylphenoxy)ethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenamide IUPAC Name: (E)-N-[2-(3-methylphenoxy)ethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Traditional Name: (E)-N-[2-(3-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(=CC=C1)OCCNC(=O)C=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O6/c1-13-3-2-4-15(9-13)25-8-7-20-19(22)6-5-14-10-17-18(27-12-26-17)11-16(14)21(23)24/h2-6,9-11H,7-8,12H2,1H3,(H,20,22)/b6-5+