4-methyl-3-(4-nitrophenyl)-7,8-bis(oxidanyl)chromen-2-one

Systemtic Name: 4-methyl-3-(4-nitrophenyl)-7,8-bis(oxidanyl)chromen-2-one Openeye Name: 7,8-dihydroxy-4-methyl-3-(4-nitrophenyl)chromen-2-one CAS Name: 7,8-dihydroxy-4-methyl-3-(4-nitrophenyl)-1-benzopyran-2-one IUPAC Name: 7,8-dihydroxy-4-methyl-3-(4-nitrophenyl)chromen-2-one Traditional Name: 7,8-dihydroxy-4-methyl-3-(4-nitrophenyl)coumarin Formula: C16H11NO6 MolecularWeight: 313.26164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2O)O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2O)O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H11NO6/c1-8-11-6-7-12(18)14(19)15(11)23-16(20)13(8)9-2-4-10(5-3-9)17(21)22/h2-7,18-19H,1H3