[4-oxidanyl-2-(2-oxidanylidenepropyl)phenyl] 4-nitrobenzoate

Systemtic Name: [4-oxidanyl-2-(2-oxidanylidenepropyl)phenyl] 4-nitrobenzoate Openeye Name: (2-acetonyl-4-hydroxy-phenyl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-hydroxy-2-(2-oxopropyl)phenyl] ester IUPAC Name: [4-hydroxy-2-(2-oxopropyl)phenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (2-acetonyl-4-hydroxy-phenyl) ester Formula: C16H13NO6 MolecularWeight: 315.27752

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=C(C=CC(=C1)O)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)CC1=C(C=CC(=C1)O)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H13NO6/c1-10(18)8-12-9-14(19)6-7-15(12)23-16(20)11-2-4-13(5-3-11)17(21)22/h2-7,9,19H,8H2,1H3