3-hexyl-4,8-dimethyl-7-[(4-nitrophenyl)methoxy]chromen-2-one

Systemtic Name: 3-hexyl-4,8-dimethyl-7-[(4-nitrophenyl)methoxy]chromen-2-one Openeye Name: 3-hexyl-4,8-dimethyl-7-[(4-nitrophenyl)methoxy]chromen-2-one CAS Name: 3-hexyl-4,8-dimethyl-7-[(4-nitrophenyl)methoxy]-1-benzopyran-2-one IUPAC Name: 3-hexyl-4,8-dimethyl-7-[(4-nitrophenyl)methoxy]chromen-2-one Traditional Name: 3-hexyl-4,8-dimethyl-7-(4-nitrobenzyl)oxy-coumarin Formula: C24H27NO5 MolecularWeight: 409.47488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C2=C(C(=C(C=C2)OCC3=CC=C(C=C3)[N+](=O)[O-])C)OC1=O)C

Isomeric SMILES

CCCCCCC1=C(C2=C(C(=C(C=C2)OCC3=CC=C(C=C3)[N+](=O)[O-])C)OC1=O)C

InChI

InChI=1S/C24H27NO5/c1-4-5-6-7-8-21-16(2)20-13-14-22(17(3)23(20)30-24(21)26)29-15-18-9-11-19(12-10-18)25(27)28/h9-14H,4-8,15H2,1-3H3