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

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

Isomeric SMILES

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

InChI

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