(2-nitrophenyl)methyl (E)-3-(3-chloranyl-5-methoxy-4-propan-2-yloxy-phenyl)prop-2-enoate

Systemtic Name: (2-nitrophenyl)methyl (E)-3-(3-chloranyl-5-methoxy-4-propan-2-yloxy-phenyl)prop-2-enoate Openeye Name: (2-nitrophenyl)methyl (E)-3-(3-chloro-4-isopropoxy-5-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)-2-propenoic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl (E)-3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-chloro-4-isopropoxy-5-methoxy-phenyl)acrylic acid (2-nitrobenzyl) ester Formula: C20H20ClNO6 MolecularWeight: 405.8289

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1Cl)C=CC(=O)OCC2=CC=CC=C2[N+](=O)[O-])OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1Cl)/C=C/C(=O)OCC2=CC=CC=C2[N+](=O)[O-])OC

InChI

InChI=1S/C20H20ClNO6/c1-13(2)28-20-16(21)10-14(11-18(20)26-3)8-9-19(23)27-12-15-6-4-5-7-17(15)22(24)25/h4-11,13H,12H2,1-3H3/b9-8+