(6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 3-methyl-2-nitro-benzoate

Systemtic Name: (6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 3-methyl-2-nitro-benzoate Openeye Name: (6-chloro-7-ethyl-2-oxo-chromen-4-yl)methyl 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-nitrobenzoic acid (6-chloro-7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-ethyl-2-oxochromen-4-yl)methyl 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-nitro-benzoic acid (6-chloro-7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C20H16ClNO6 MolecularWeight: 401.79714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClNO6/c1-3-12-7-17-15(9-16(12)21)13(8-18(23)28-17)10-27-20(24)14-6-4-5-11(2)19(14)22(25)26/h4-9H,3,10H2,1-2H3