methyl 4-[2-[4-(4-nitrophenyl)phenyl]-2-oxidanylidene-ethyl]oxane-4-carboxylate

Systemtic Name: methyl 4-[2-[4-(4-nitrophenyl)phenyl]-2-oxidanylidene-ethyl]oxane-4-carboxylate Openeye Name: methyl 4-[2-[4-(4-nitrophenyl)phenyl]-2-oxo-ethyl]tetrahydropyran-4-carboxylate CAS Name: 4-[2-[4-(4-nitrophenyl)phenyl]-2-oxoethyl]-4-oxanecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-[4-(4-nitrophenyl)phenyl]-2-oxoethyl]oxane-4-carboxylate Traditional Name: 4-[2-keto-2-[4-(4-nitrophenyl)phenyl]ethyl]tetrahydropyran-4-carboxylic acid methyl ester Formula: C21H21NO6 MolecularWeight: 383.39454

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCOCC1)CC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1(CCOCC1)CC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21NO6/c1-27-20(24)21(10-12-28-13-11-21)14-19(23)17-4-2-15(3-5-17)16-6-8-18(9-7-16)22(25)26/h2-9H,10-14H2,1H3