(3-butyl-2-oxidanylidene-chromen-4-yl) 2-chloranyl-5-nitro-benzoate

Systemtic Name: (3-butyl-2-oxidanylidene-chromen-4-yl) 2-chloranyl-5-nitro-benzoate Openeye Name: (3-butyl-2-oxo-chromen-4-yl) 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid (3-butyl-2-oxo-1-benzopyran-4-yl) ester IUPAC Name: (3-butyl-2-oxochromen-4-yl) 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid (3-butyl-2-keto-chromen-4-yl) ester Formula: C20H16ClNO6 MolecularWeight: 401.79714

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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-])Cl

Isomeric SMILES

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

InChI

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