2-(3-methyl-4-propan-2-yl-phenoxy)ethyl (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: 2-(3-methyl-4-propan-2-yl-phenoxy)ethyl (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: 2-(4-isopropyl-3-methyl-phenoxy)ethyl (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenoic acid 2-(3-methyl-4-propan-2-ylphenoxy)ethyl ester IUPAC Name: 2-(3-methyl-4-propan-2-ylphenoxy)ethyl (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)acrylic acid 2-(4-isopropyl-3-methyl-phenoxy)ethyl ester Formula: C22H23NO7 MolecularWeight: 413.42052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO7/c1-14(2)18-6-5-17(10-15(18)3)27-8-9-28-22(24)7-4-16-11-20-21(30-13-29-20)12-19(16)23(25)26/h4-7,10-12,14H,8-9,13H2,1-3H3/b7-4+