4-butyl-6-chloranyl-7-[(2-methoxy-5-nitro-phenyl)methoxy]chromen-2-one

Systemtic Name: 4-butyl-6-chloranyl-7-[(2-methoxy-5-nitro-phenyl)methoxy]chromen-2-one Openeye Name: 4-butyl-6-chloro-7-[(2-methoxy-5-nitro-phenyl)methoxy]chromen-2-one CAS Name: 4-butyl-6-chloro-7-[(2-methoxy-5-nitrophenyl)methoxy]-1-benzopyran-2-one IUPAC Name: 4-butyl-6-chloro-7-[(2-methoxy-5-nitrophenyl)methoxy]chromen-2-one Traditional Name: 4-butyl-6-chloro-7-(2-methoxy-5-nitro-benzyl)oxy-coumarin Formula: C21H20ClNO6 MolecularWeight: 417.8396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H20ClNO6/c1-3-4-5-13-9-21(24)29-19-11-20(17(22)10-16(13)19)28-12-14-8-15(23(25)26)6-7-18(14)27-2/h6-11H,3-5,12H2,1-2H3