2-nitropropyl benzoate

Systemtic Name: 2-nitropropyl benzoate Openeye Name: 2-nitropropyl benzoate CAS Name: benzoic acid 2-nitropropyl ester IUPAC Name: 2-nitropropyl benzoate Traditional Name: benzoic acid 2-nitropropyl ester Formula: C10H11NO4 MolecularWeight: 209.19864

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)C1=CC=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CC(COC(=O)C1=CC=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C10H11NO4/c1-8(11(13)14)7-15-10(12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3