3-hexyl-4-methyl-7-[(4-nitrophenyl)methoxy]chromen-2-one

Systemtic Name: 3-hexyl-4-methyl-7-[(4-nitrophenyl)methoxy]chromen-2-one Openeye Name: 3-hexyl-4-methyl-7-[(4-nitrophenyl)methoxy]chromen-2-one CAS Name: 3-hexyl-4-methyl-7-[(4-nitrophenyl)methoxy]-1-benzopyran-2-one IUPAC Name: 3-hexyl-4-methyl-7-[(4-nitrophenyl)methoxy]chromen-2-one Traditional Name: 3-hexyl-4-methyl-7-(4-nitrobenzyl)oxy-coumarin Formula: C23H25NO5 MolecularWeight: 395.4483

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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-])OC1=O)C

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO5/c1-3-4-5-6-7-21-16(2)20-13-12-19(14-22(20)29-23(21)25)28-15-17-8-10-18(11-9-17)24(26)27/h8-14H,3-7,15H2,1-2H3