4-butyl-6-chloranyl-7-[(4-nitrophenyl)methoxy]chromen-2-one

Systemtic Name: 4-butyl-6-chloranyl-7-[(4-nitrophenyl)methoxy]chromen-2-one Openeye Name: 4-butyl-6-chloro-7-[(4-nitrophenyl)methoxy]chromen-2-one CAS Name: 4-butyl-6-chloro-7-[(4-nitrophenyl)methoxy]-1-benzopyran-2-one IUPAC Name: 4-butyl-6-chloro-7-[(4-nitrophenyl)methoxy]chromen-2-one Traditional Name: 4-butyl-6-chloro-7-(4-nitrobenzyl)oxy-coumarin Formula: C20H18ClNO5 MolecularWeight: 387.81362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClNO5/c1-2-3-4-14-9-20(23)27-18-11-19(17(21)10-16(14)18)26-12-13-5-7-15(8-6-13)22(24)25/h5-11H,2-4,12H2,1H3