[2-(3,4-dimethoxyphenyl)-6,7-dimethyl-4-oxidanylidene-chromen-3-yl] 4-nitrobenzoate

Systemtic Name: [2-(3,4-dimethoxyphenyl)-6,7-dimethyl-4-oxidanylidene-chromen-3-yl] 4-nitrobenzoate Openeye Name: [2-(3,4-dimethoxyphenyl)-6,7-dimethyl-4-oxo-chromen-3-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-(3,4-dimethoxyphenyl)-6,7-dimethyl-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-(3,4-dimethoxyphenyl)-4-keto-6,7-dimethyl-chromen-3-yl] ester Formula: C26H21NO8 MolecularWeight: 475.44684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=O)C(=C(O2)C3=CC(=C(C=C3)OC)OC)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=O)C(=C(O2)C3=CC(=C(C=C3)OC)OC)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C26H21NO8/c1-14-11-19-21(12-15(14)2)34-24(17-7-10-20(32-3)22(13-17)33-4)25(23(19)28)35-26(29)16-5-8-18(9-6-16)27(30)31/h5-13H,1-4H3