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

Systemtic Name: 3,4-dimethyl-7-[(3-nitrophenyl)methoxy]chromen-2-one Openeye Name: 3,4-dimethyl-7-[(3-nitrophenyl)methoxy]chromen-2-one CAS Name: 3,4-dimethyl-7-[(3-nitrophenyl)methoxy]-1-benzopyran-2-one IUPAC Name: 3,4-dimethyl-7-[(3-nitrophenyl)methoxy]chromen-2-one Traditional Name: 3,4-dimethyl-7-(3-nitrobenzyl)oxy-coumarin Formula: C18H15NO5 MolecularWeight: 325.3154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15NO5/c1-11-12(2)18(20)24-17-9-15(6-7-16(11)17)23-10-13-4-3-5-14(8-13)19(21)22/h3-9H,10H2,1-2H3