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

Systemtic Name: 4-methyl-3-(3-methylbutyl)-7-[(4-nitrophenyl)methoxy]chromen-2-one Openeye Name: 3-isopentyl-4-methyl-7-[(4-nitrophenyl)methoxy]chromen-2-one CAS Name: 4-methyl-3-(3-methylbutyl)-7-[(4-nitrophenyl)methoxy]-1-benzopyran-2-one IUPAC Name: 4-methyl-3-(3-methylbutyl)-7-[(4-nitrophenyl)methoxy]chromen-2-one Traditional Name: 3-isoamyl-4-methyl-7-(4-nitrobenzyl)oxy-coumarin Formula: C22H23NO5 MolecularWeight: 381.42172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=CC=C(C=C3)[N+](=O)[O-])CCC(C)C

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=CC=C(C=C3)[N+](=O)[O-])CCC(C)C

InChI

InChI=1S/C22H23NO5/c1-14(2)4-10-20-15(3)19-11-9-18(12-21(19)28-22(20)24)27-13-16-5-7-17(8-6-16)23(25)26/h5-9,11-12,14H,4,10,13H2,1-3H3