2,4-dimethyl-6-(1-nitro-2-phenyl-ethyl)benzoate

Systemtic Name: 2,4-dimethyl-6-(1-nitro-2-phenyl-ethyl)benzoate Openeye Name: 2,4-dimethyl-6-(1-nitro-2-phenyl-ethyl)benzoate CAS Name: 2,4-dimethyl-6-(1-nitro-2-phenylethyl)benzoate IUPAC Name: 2,4-dimethyl-6-(1-nitro-2-phenylethyl)benzoate Traditional Name: 2,4-dimethyl-6-(1-nitro-2-phenyl-ethyl)benzoate Formula: C17H16NO4- MolecularWeight: 298.31324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(CC2=CC=CC=C2)[N+](=O)[O-])C(=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C(CC2=CC=CC=C2)[N+](=O)[O-])C(=O)[O-])C

InChI

InChI=1S/C17H17NO4/c1-11-8-12(2)16(17(19)20)14(9-11)15(18(21)22)10-13-6-4-3-5-7-13/h3-9,15H,10H2,1-2H3,(H,19,20)/p-1