4-phenylbutan-2-yl 4-nitrobenzoate

Systemtic Name: 4-phenylbutan-2-yl 4-nitrobenzoate Openeye Name: (1-methyl-3-phenyl-propyl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 4-phenylbutan-2-yl ester IUPAC Name: 4-phenylbutan-2-yl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (1-methyl-3-phenyl-propyl) ester Formula: C17H17NO4 MolecularWeight: 299.32118

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(CCC1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H17NO4/c1-13(7-8-14-5-3-2-4-6-14)22-17(19)15-9-11-16(12-10-15)18(20)21/h2-6,9-13H,7-8H2,1H3