(3-butyl-2-oxidanylidene-chromen-4-yl) 3-methyl-4-nitro-benzoate

Systemtic Name: (3-butyl-2-oxidanylidene-chromen-4-yl) 3-methyl-4-nitro-benzoate Openeye Name: (3-butyl-2-oxo-chromen-4-yl) 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid (3-butyl-2-oxo-1-benzopyran-4-yl) ester IUPAC Name: (3-butyl-2-oxochromen-4-yl) 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid (3-butyl-2-keto-chromen-4-yl) ester Formula: C21H19NO6 MolecularWeight: 381.37866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19NO6/c1-3-4-7-16-19(15-8-5-6-9-18(15)27-21(16)24)28-20(23)14-10-11-17(22(25)26)13(2)12-14/h5-6,8-12H,3-4,7H2,1-2H3