[3-(2-ethylphenoxy)-4-oxidanylidene-chromen-7-yl] 3-methyl-4-nitro-benzoate

Systemtic Name: [3-(2-ethylphenoxy)-4-oxidanylidene-chromen-7-yl] 3-methyl-4-nitro-benzoate Openeye Name: [3-(2-ethylphenoxy)-4-oxo-chromen-7-yl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [3-(2-ethylphenoxy)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(2-ethylphenoxy)-4-oxochromen-7-yl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [3-(2-ethylphenoxy)-4-keto-chromen-7-yl] ester Formula: C25H19NO7 MolecularWeight: 445.42086

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC(=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC=CC=C1OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC(=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C25H19NO7/c1-3-16-6-4-5-7-21(16)33-23-14-31-22-13-18(9-10-19(22)24(23)27)32-25(28)17-8-11-20(26(29)30)15(2)12-17/h4-14H,3H2,1-2H3