(6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl (E)-3-(2-nitrophenyl)prop-2-enoate

Systemtic Name: (6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl (E)-3-(2-nitrophenyl)prop-2-enoate Openeye Name: (6-chloro-7-ethyl-2-oxo-chromen-4-yl)methyl (E)-3-(2-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(2-nitrophenyl)-2-propenoic acid (6-chloro-7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-ethyl-2-oxochromen-4-yl)methyl (E)-3-(2-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(2-nitrophenyl)acrylic acid (6-chloro-7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C21H16ClNO6 MolecularWeight: 413.80784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C=CC3=CC=CC=C3[N+](=O)[O-])Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)/C=C/C3=CC=CC=C3[N+](=O)[O-])Cl

InChI

InChI=1S/C21H16ClNO6/c1-2-13-9-19-16(11-17(13)22)15(10-21(25)29-19)12-28-20(24)8-7-14-5-3-4-6-18(14)23(26)27/h3-11H,2,12H2,1H3/b8-7+