3-[(3R,4R)-2,2-dimethyl-3-nitro-3,4-dihydrochromen-4-yl]-1H-indole

Systemtic Name: 3-[(3R,4R)-2,2-dimethyl-3-nitro-3,4-dihydrochromen-4-yl]-1H-indole Openeye Name: 3-[(3R,4R)-2,2-dimethyl-3-nitro-chroman-4-yl]-1H-indole CAS Name: 3-[(3R,4R)-2,2-dimethyl-3-nitro-3,4-dihydro-2H-1-benzopyran-4-yl]-1H-indole IUPAC Name: 3-[(3R,4R)-2,2-dimethyl-3-nitro-3,4-dihydrochromen-4-yl]-1H-indole Traditional Name: 3-[(3R,4R)-2,2-dimethyl-3-nitro-chroman-4-yl]-1H-indole Formula: C19H18N2O3 MolecularWeight: 322.35782

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=CC=CC=C2O1)C3=CNC4=CC=CC=C43)[N+](=O)[O-])C

Isomeric SMILES

CC1([C@@H]([C@@H](C2=CC=CC=C2O1)C3=CNC4=CC=CC=C43)[N+](=O)[O-])C

InChI

InChI=1S/C19H18N2O3/c1-19(2)18(21(22)23)17(13-8-4-6-10-16(13)24-19)14-11-20-15-9-5-3-7-12(14)15/h3-11,17-18,20H,1-2H3/t17-,18+/m0/s1