5-methyl-3-[(4-nitrophenyl)methoxy]-1-oxidanyl-xanthen-9-one

Systemtic Name: 5-methyl-3-[(4-nitrophenyl)methoxy]-1-oxidanyl-xanthen-9-one Openeye Name: 1-hydroxy-5-methyl-3-[(4-nitrophenyl)methoxy]xanthen-9-one CAS Name: 1-hydroxy-5-methyl-3-[(4-nitrophenyl)methoxy]-9-xanthenone IUPAC Name: 1-hydroxy-5-methyl-3-[(4-nitrophenyl)methoxy]xanthen-9-one Traditional Name: 1-hydroxy-5-methyl-3-(4-nitrobenzyl)oxy-xanthone Formula: C21H15NO6 MolecularWeight: 377.3469

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1OC3=CC(=CC(=C3C2=O)O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC2=C1OC3=CC(=CC(=C3C2=O)O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H15NO6/c1-12-3-2-4-16-20(24)19-17(23)9-15(10-18(19)28-21(12)16)27-11-13-5-7-14(8-6-13)22(25)26/h2-10,23H,11H2,1H3