4-butyl-7-methyl-5-[(4-nitrophenyl)methoxy]chromen-2-one

Systemtic Name: 4-butyl-7-methyl-5-[(4-nitrophenyl)methoxy]chromen-2-one Openeye Name: 4-butyl-7-methyl-5-[(4-nitrophenyl)methoxy]chromen-2-one CAS Name: 4-butyl-7-methyl-5-[(4-nitrophenyl)methoxy]-1-benzopyran-2-one IUPAC Name: 4-butyl-7-methyl-5-[(4-nitrophenyl)methoxy]chromen-2-one Traditional Name: 4-butyl-7-methyl-5-(4-nitrobenzyl)oxy-coumarin Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO5/c1-3-4-5-16-12-20(23)27-19-11-14(2)10-18(21(16)19)26-13-15-6-8-17(9-7-15)22(24)25/h6-12H,3-5,13H2,1-2H3