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

Systemtic Name: (3-butyl-2-oxidanylidene-chromen-4-yl) 2-methyl-3-nitro-benzoate Openeye Name: (3-butyl-2-oxo-chromen-4-yl) 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid (3-butyl-2-oxo-1-benzopyran-4-yl) ester IUPAC Name: (3-butyl-2-oxochromen-4-yl) 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-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=C(C(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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