(2,3,6-trimethylphenyl) (E)-3-(4-nitrophenyl)prop-2-enoate

Systemtic Name: (2,3,6-trimethylphenyl) (E)-3-(4-nitrophenyl)prop-2-enoate Openeye Name: (2,3,6-trimethylphenyl) (E)-3-(4-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(4-nitrophenyl)-2-propenoic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) (E)-3-(4-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(4-nitrophenyl)acrylic acid (2,3,6-trimethylphenyl) ester Formula: C18H17NO4 MolecularWeight: 311.33188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OC(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO4/c1-12-4-5-13(2)18(14(12)3)23-17(20)11-8-15-6-9-16(10-7-15)19(21)22/h4-11H,1-3H3/b11-8+