2,2-dimethyl-7-[(4-nitrophenyl)methoxy]-3H-chromen-4-one

Systemtic Name: 2,2-dimethyl-7-[(4-nitrophenyl)methoxy]-3H-chromen-4-one Openeye Name: 2,2-dimethyl-7-[(4-nitrophenyl)methoxy]chroman-4-one CAS Name: 2,2-dimethyl-7-[(4-nitrophenyl)methoxy]-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: 2,2-dimethyl-7-[(4-nitrophenyl)methoxy]-3H-chromen-4-one Traditional Name: 2,2-dimethyl-7-(4-nitrobenzyl)oxy-chroman-4-one Formula: C18H17NO5 MolecularWeight: 327.33128

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C2=C(O1)C=C(C=C2)OCC3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1(CC(=O)C2=C(O1)C=C(C=C2)OCC3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C18H17NO5/c1-18(2)10-16(20)15-8-7-14(9-17(15)24-18)23-11-12-3-5-13(6-4-12)19(21)22/h3-9H,10-11H2,1-2H3