4-(4-nitrophenyl)butan-2-yl ethanoate

Systemtic Name: 4-(4-nitrophenyl)butan-2-yl ethanoate Openeye Name: [1-methyl-3-(4-nitrophenyl)propyl] acetate CAS Name: acetic acid 4-(4-nitrophenyl)butan-2-yl ester IUPAC Name: 4-(4-nitrophenyl)butan-2-yl acetate Traditional Name: acetic acid [1-methyl-3-(4-nitrophenyl)propyl] ester Formula: C12H15NO4 MolecularWeight: 237.2518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO4/c1-9(17-10(2)14)3-4-11-5-7-12(8-6-11)13(15)16/h5-9H,3-4H2,1-2H3