4-methyl-3-[(4-nitrophenyl)methyl]-5,7-bis(oxidanyl)chromen-2-one

Systemtic Name: 4-methyl-3-[(4-nitrophenyl)methyl]-5,7-bis(oxidanyl)chromen-2-one Openeye Name: 5,7-dihydroxy-4-methyl-3-[(4-nitrophenyl)methyl]chromen-2-one CAS Name: 5,7-dihydroxy-4-methyl-3-[(4-nitrophenyl)methyl]-1-benzopyran-2-one IUPAC Name: 5,7-dihydroxy-4-methyl-3-[(4-nitrophenyl)methyl]chromen-2-one Traditional Name: 5,7-dihydroxy-4-methyl-3-(4-nitrobenzyl)coumarin Formula: C17H13NO6 MolecularWeight: 327.28822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=CC(=C12)O)O)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=CC(=C12)O)O)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13NO6/c1-9-13(6-10-2-4-11(5-3-10)18(22)23)17(21)24-15-8-12(19)7-14(20)16(9)15/h2-5,7-8,19-20H,6H2,1H3