6-chloranyl-4-ethyl-7-[(4-nitrophenyl)methoxy]chromen-2-one

Systemtic Name: 6-chloranyl-4-ethyl-7-[(4-nitrophenyl)methoxy]chromen-2-one Openeye Name: 6-chloro-4-ethyl-7-[(4-nitrophenyl)methoxy]chromen-2-one CAS Name: 6-chloro-4-ethyl-7-[(4-nitrophenyl)methoxy]-1-benzopyran-2-one IUPAC Name: 6-chloro-4-ethyl-7-[(4-nitrophenyl)methoxy]chromen-2-one Traditional Name: 6-chloro-4-ethyl-7-(4-nitrobenzyl)oxy-coumarin Formula: C18H14ClNO5 MolecularWeight: 359.76046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H14ClNO5/c1-2-12-7-18(21)25-16-9-17(15(19)8-14(12)16)24-10-11-3-5-13(6-4-11)20(22)23/h3-9H,2,10H2,1H3