ethyl 3-nitro-4-(1-oxidanyl-1-phenyl-ethyl)benzoate

Systemtic Name: ethyl 3-nitro-4-(1-oxidanyl-1-phenyl-ethyl)benzoate Openeye Name: ethyl 4-(1-hydroxy-1-phenyl-ethyl)-3-nitro-benzoate CAS Name: 4-(1-hydroxy-1-phenylethyl)-3-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 4-(1-hydroxy-1-phenylethyl)-3-nitrobenzoate Traditional Name: 4-(1-hydroxy-1-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)C(C)(C2=CC=CC=C2)O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO5/c1-3-23-16(19)12-9-10-14(15(11-12)18(21)22)17(2,20)13-7-5-4-6-8-13/h4-11,20H,3H2,1-2H3