2-(3,5-dimethylphenoxy)ethyl (E)-3-(5-nitrofuran-2-yl)prop-2-enoate

Systemtic Name: 2-(3,5-dimethylphenoxy)ethyl (E)-3-(5-nitrofuran-2-yl)prop-2-enoate Openeye Name: 2-(3,5-dimethylphenoxy)ethyl (E)-3-(5-nitro-2-furyl)prop-2-enoate CAS Name: (E)-3-(5-nitro-2-furanyl)-2-propenoic acid 2-(3,5-dimethylphenoxy)ethyl ester IUPAC Name: 2-(3,5-dimethylphenoxy)ethyl (E)-3-(5-nitrofuran-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-nitro-2-furyl)acrylic acid 2-(3,5-dimethylphenoxy)ethyl ester Formula: C17H17NO6 MolecularWeight: 331.31998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCOC(=O)C=CC2=CC=C(O2)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCOC(=O)/C=C/C2=CC=C(O2)[N+](=O)[O-])C

InChI

InChI=1S/C17H17NO6/c1-12-9-13(2)11-15(10-12)22-7-8-23-17(19)6-4-14-3-5-16(24-14)18(20)21/h3-6,9-11H,7-8H2,1-2H3/b6-4+