methyl 4-nitro-2-(1-phenylethyl)benzoate

Systemtic Name: methyl 4-nitro-2-(1-phenylethyl)benzoate Openeye Name: methyl 4-nitro-2-(1-phenylethyl)benzoate CAS Name: 4-nitro-2-(1-phenylethyl)benzoic acid methyl ester IUPAC Name: methyl 4-nitro-2-(1-phenylethyl)benzoate Traditional Name: 4-nitro-2-(1-phenylethyl)benzoic acid methyl ester Formula: C16H15NO4 MolecularWeight: 285.2946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO4/c1-11(12-6-4-3-5-7-12)15-10-13(17(19)20)8-9-14(15)16(18)21-2/h3-11H,1-2H3