ethyl 3-nitro-4-(2-oxidanyl-2-phenyl-ethyl)benzoate

Systemtic Name: ethyl 3-nitro-4-(2-oxidanyl-2-phenyl-ethyl)benzoate Openeye Name: ethyl 4-(2-hydroxy-2-phenyl-ethyl)-3-nitro-benzoate CAS Name: 4-(2-hydroxy-2-phenylethyl)-3-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 4-(2-hydroxy-2-phenylethyl)-3-nitrobenzoate Traditional Name: 4-(2-hydroxy-2-phenyl-ethyl)-3-nitro-benzoic acid ethyl ester Formula: C17H17NO5 MolecularWeight: 315.32058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO5/c1-2-23-17(20)14-9-8-13(15(10-14)18(21)22)11-16(19)12-6-4-3-5-7-12/h3-10,16,19H,2,11H2,1H3