[2-(2-oxidanylidenepropyl)phenyl] 3-nitrobenzoate

Systemtic Name: [2-(2-oxidanylidenepropyl)phenyl] 3-nitrobenzoate Openeye Name: (2-acetonylphenyl) 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-(2-oxopropyl)phenyl] ester IUPAC Name: [2-(2-oxopropyl)phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (2-acetonylphenyl) ester Formula: C16H13NO5 MolecularWeight: 299.27812

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=CC=CC=C1OC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)CC1=CC=CC=C1OC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H13NO5/c1-11(18)9-12-5-2-3-8-15(12)22-16(19)13-6-4-7-14(10-13)17(20)21/h2-8,10H,9H2,1H3