[1-(5-methanoylfuran-2-yl)-3-oxidanylidene-butan-2-yl] 4-nitrobenzoate

Systemtic Name: [1-(5-methanoylfuran-2-yl)-3-oxidanylidene-butan-2-yl] 4-nitrobenzoate Openeye Name: [1-[(5-formyl-2-furyl)methyl]-2-oxo-propyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [1-(5-formyl-2-furanyl)-3-oxobutan-2-yl] ester IUPAC Name: [1-(5-formylfuran-2-yl)-3-oxobutan-2-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [1-[(5-formyl-2-furyl)methyl]-2-keto-propyl] ester Formula: C16H13NO7 MolecularWeight: 331.27692

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC=C(O1)C=O)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C(CC1=CC=C(O1)C=O)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H13NO7/c1-10(19)15(8-13-6-7-14(9-18)23-13)24-16(20)11-2-4-12(5-3-11)17(21)22/h2-7,9,15H,8H2,1H3