[2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 3-chloranyl-4-ethoxy-5-phenylmethoxy-benzoate

Systemtic Name: [2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 3-chloranyl-4-ethoxy-5-phenylmethoxy-benzoate Openeye Name: [2-(4-nitrophenyl)-2-oxo-ethyl] 3-benzyloxy-5-chloro-4-ethoxy-benzoate CAS Name: 3-chloro-4-ethoxy-5-phenylmethoxybenzoic acid [2-(4-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-nitrophenyl)-2-oxoethyl] 3-chloro-4-ethoxy-5-phenylmethoxybenzoate Traditional Name: 3-benzoxy-5-chloro-4-ethoxy-benzoic acid [2-keto-2-(4-nitrophenyl)ethyl] ester Formula: C24H20ClNO7 MolecularWeight: 469.8711

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)C(=O)OCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])OCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)C(=O)OCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])OCC3=CC=CC=C3

InChI

InChI=1S/C24H20ClNO7/c1-2-31-23-20(25)12-18(13-22(23)32-14-16-6-4-3-5-7-16)24(28)33-15-21(27)17-8-10-19(11-9-17)26(29)30/h3-13H,2,14-15H2,1H3