[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 4-(propan-2-yloxymethyl)benzoate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 4-(propan-2-yloxymethyl)benzoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 4-(isopropoxymethyl)benzoate CAS Name: 4-(propan-2-yloxymethyl)benzoic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 4-(propan-2-yloxymethyl)benzoate Traditional Name: 4-(isopropoxymethyl)benzoic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C20H21NO6 MolecularWeight: 371.38384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO6/c1-13(2)26-11-15-5-8-16(9-6-15)20(23)27-12-19(22)17-7-4-14(3)18(10-17)21(24)25/h4-10,13H,11-12H2,1-3H3