[4-oxidanylidene-2-(3,4,5-trimethoxyphenyl)chromen-6-yl] 3-nitrobenzoate

Systemtic Name: [4-oxidanylidene-2-(3,4,5-trimethoxyphenyl)chromen-6-yl] 3-nitrobenzoate Openeye Name: [4-oxo-2-(3,4,5-trimethoxyphenyl)chromen-6-yl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-oxo-2-(3,4,5-trimethoxyphenyl)-1-benzopyran-6-yl] ester IUPAC Name: [4-oxo-2-(3,4,5-trimethoxyphenyl)chromen-6-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-keto-2-(3,4,5-trimethoxyphenyl)chromen-6-yl] ester Formula: C25H19NO9 MolecularWeight: 477.41966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=CC(=O)C3=C(O2)C=CC(=C3)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=CC(=O)C3=C(O2)C=CC(=C3)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H19NO9/c1-31-22-10-15(11-23(32-2)24(22)33-3)21-13-19(27)18-12-17(7-8-20(18)35-21)34-25(28)14-5-4-6-16(9-14)26(29)30/h4-13H,1-3H3