[3-(2,5-dimethylphenoxy)-4-oxidanylidene-chromen-7-yl] 2-chloranyl-4-nitro-benzoate

Systemtic Name: [3-(2,5-dimethylphenoxy)-4-oxidanylidene-chromen-7-yl] 2-chloranyl-4-nitro-benzoate Openeye Name: [3-(2,5-dimethylphenoxy)-4-oxo-chromen-7-yl] 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid [3-(2,5-dimethylphenoxy)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(2,5-dimethylphenoxy)-4-oxochromen-7-yl] 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid [3-(2,5-dimethylphenoxy)-4-keto-chromen-7-yl] ester Formula: C24H16ClNO7 MolecularWeight: 465.83934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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