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

Systemtic Name: (3-butyl-2-oxidanylidene-chromen-4-yl) 2-chloranyl-4-nitro-benzoate Openeye Name: (3-butyl-2-oxo-chromen-4-yl) 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid (3-butyl-2-oxo-1-benzopyran-4-yl) ester IUPAC Name: (3-butyl-2-oxochromen-4-yl) 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid (3-butyl-2-keto-chromen-4-yl) ester Formula: C20H16ClNO6 MolecularWeight: 401.79714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClNO6/c1-2-3-6-15-18(14-7-4-5-8-17(14)27-20(15)24)28-19(23)13-10-9-12(22(25)26)11-16(13)21/h4-5,7-11H,2-3,6H2,1H3