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

Systemtic Name: 4-butyl-7-[(4-nitrophenyl)methoxy]chromen-2-one Openeye Name: 4-butyl-7-[(4-nitrophenyl)methoxy]chromen-2-one CAS Name: 4-butyl-7-[(4-nitrophenyl)methoxy]-1-benzopyran-2-one IUPAC Name: 4-butyl-7-[(4-nitrophenyl)methoxy]chromen-2-one Traditional Name: 4-butyl-7-(4-nitrobenzyl)oxy-coumarin Formula: C20H19NO5 MolecularWeight: 353.36856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19NO5/c1-2-3-4-15-11-20(22)26-19-12-17(9-10-18(15)19)25-13-14-5-7-16(8-6-14)21(23)24/h5-12H,2-4,13H2,1H3