(2-chloranyl-4-nitro-phenyl) 3-(3,4,5-trimethoxyphenyl)propanoate

Systemtic Name: (2-chloranyl-4-nitro-phenyl) 3-(3,4,5-trimethoxyphenyl)propanoate Openeye Name: (2-chloro-4-nitro-phenyl) 3-(3,4,5-trimethoxyphenyl)propanoate CAS Name: 3-(3,4,5-trimethoxyphenyl)propanoic acid (2-chloro-4-nitrophenyl) ester IUPAC Name: (2-chloro-4-nitrophenyl) 3-(3,4,5-trimethoxyphenyl)propanoate Traditional Name: 3-(3,4,5-trimethoxyphenyl)propionic acid (2-chloro-4-nitro-phenyl) ester Formula: C18H18ClNO7 MolecularWeight: 395.79102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CCC(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CCC(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H18ClNO7/c1-24-15-8-11(9-16(25-2)18(15)26-3)4-7-17(21)27-14-6-5-12(20(22)23)10-13(14)19/h5-6,8-10H,4,7H2,1-3H3