(4-nitrophenyl) (E)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enoate

Systemtic Name: (4-nitrophenyl) (E)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enoate Openeye Name: (4-nitrophenyl) (E)-3-(4-isopentyloxy-3-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]-2-propenoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) (E)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enoate Traditional Name: (E)-3-(4-isoamoxy-3-methoxy-phenyl)acrylic acid (4-nitrophenyl) ester Formula: C21H23NO6 MolecularWeight: 385.41042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C=CC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])OC

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)/C=C/C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C21H23NO6/c1-15(2)12-13-27-19-10-4-16(14-20(19)26-3)5-11-21(23)28-18-8-6-17(7-9-18)22(24)25/h4-11,14-15H,12-13H2,1-3H3/b11-5+