[3-(3,5-dimethylphenoxy)-4-oxidanylidene-chromen-7-yl] 4-chloranyl-3-nitro-benzoate

Systemtic Name: [3-(3,5-dimethylphenoxy)-4-oxidanylidene-chromen-7-yl] 4-chloranyl-3-nitro-benzoate Openeye Name: [3-(3,5-dimethylphenoxy)-4-oxo-chromen-7-yl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [3-(3,5-dimethylphenoxy)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(3,5-dimethylphenoxy)-4-oxochromen-7-yl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [3-(3,5-dimethylphenoxy)-4-keto-chromen-7-yl] ester Formula: C24H16ClNO7 MolecularWeight: 465.83934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C24H16ClNO7/c1-13-7-14(2)9-17(8-13)32-22-12-31-21-11-16(4-5-18(21)23(22)27)33-24(28)15-3-6-19(25)20(10-15)26(29)30/h3-12H,1-2H3