3-phenylpropyl 2-nitrobenzoate

Systemtic Name: 3-phenylpropyl 2-nitrobenzoate Openeye Name: 3-phenylpropyl 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid 3-phenylpropyl ester Formula: C16H15NO4 MolecularWeight: 285.2946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO4/c18-16(14-10-4-5-11-15(14)17(19)20)21-12-6-9-13-7-2-1-3-8-13/h1-5,7-8,10-11H,6,9,12H2