(3-butyl-2-oxidanylidene-chromen-4-yl) 5-nitrofuran-2-carboxylate

Systemtic Name: (3-butyl-2-oxidanylidene-chromen-4-yl) 5-nitrofuran-2-carboxylate Openeye Name: (3-butyl-2-oxo-chromen-4-yl) 5-nitrofuran-2-carboxylate CAS Name: 5-nitro-2-furancarboxylic acid (3-butyl-2-oxo-1-benzopyran-4-yl) ester IUPAC Name: (3-butyl-2-oxochromen-4-yl) 5-nitrofuran-2-carboxylate Traditional Name: 5-nitrofuran-2-carboxylic acid (3-butyl-2-keto-chromen-4-yl) ester Formula: C18H15NO7 MolecularWeight: 357.3142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2OC1=O)OC(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2OC1=O)OC(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C18H15NO7/c1-2-3-6-12-16(11-7-4-5-8-13(11)25-17(12)20)26-18(21)14-9-10-15(24-14)19(22)23/h4-5,7-10H,2-3,6H2,1H3