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

Systemtic Name: [3-(4-chloranyl-3,5-dimethyl-phenoxy)-4-oxidanylidene-chromen-7-yl] 3-methyl-4-nitro-benzoate Openeye Name: [3-(4-chloro-3,5-dimethyl-phenoxy)-4-oxo-chromen-7-yl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [3-(4-chloro-3,5-dimethylphenoxy)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-chloro-3,5-dimethylphenoxy)-4-oxochromen-7-yl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [3-(4-chloro-3,5-dimethyl-phenoxy)-4-keto-chromen-7-yl] ester Formula: C25H18ClNO7 MolecularWeight: 479.86592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC(=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC(=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C25H18ClNO7/c1-13-8-16(4-7-20(13)27(30)31)25(29)34-17-5-6-19-21(11-17)32-12-22(24(19)28)33-18-9-14(2)23(26)15(3)10-18/h4-12H,1-3H3