3-[(2S,3R,4R)-2-(4-methoxyphenyl)-3-nitro-3,4-dihydro-2H-chromen-4-yl]-1H-indole

Systemtic Name: 3-[(2S,3R,4R)-2-(4-methoxyphenyl)-3-nitro-3,4-dihydro-2H-chromen-4-yl]-1H-indole Openeye Name: 3-[(2S,3R,4R)-2-(4-methoxyphenyl)-3-nitro-chroman-4-yl]-1H-indole CAS Name: 3-[(2S,3R,4R)-2-(4-methoxyphenyl)-3-nitro-3,4-dihydro-2H-1-benzopyran-4-yl]-1H-indole IUPAC Name: 3-[(2S,3R,4R)-2-(4-methoxyphenyl)-3-nitro-3,4-dihydro-2H-chromen-4-yl]-1H-indole Traditional Name: 3-[(2S,3R,4R)-2-(4-methoxyphenyl)-3-nitro-chroman-4-yl]-1H-indole Formula: C24H20N2O4 MolecularWeight: 400.4266

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C(C3=CC=CC=C3O2)C4=CNC5=CC=CC=C54)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2[C@@H]([C@@H](C3=CC=CC=C3O2)C4=CNC5=CC=CC=C54)[N+](=O)[O-]

InChI

InChI=1S/C24H20N2O4/c1-29-16-12-10-15(11-13-16)24-23(26(27)28)22(18-7-3-5-9-21(18)30-24)19-14-25-20-8-4-2-6-17(19)20/h2-14,22-25H,1H3/t22-,23+,24-/m0/s1