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

Systemtic Name: 3-[(3R,4S)-2,2-dimethyl-3-nitro-3,4-dihydrochromen-4-yl]-2-methyl-1H-indole Openeye Name: 3-[(3R,4S)-2,2-dimethyl-3-nitro-chroman-4-yl]-2-methyl-1H-indole CAS Name: 3-[(3R,4S)-2,2-dimethyl-3-nitro-3,4-dihydro-2H-1-benzopyran-4-yl]-2-methyl-1H-indole IUPAC Name: 3-[(3R,4S)-2,2-dimethyl-3-nitro-3,4-dihydrochromen-4-yl]-2-methyl-1H-indole Traditional Name: 3-[(3R,4S)-2,2-dimethyl-3-nitro-chroman-4-yl]-2-methyl-1H-indole Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C3C(C(OC4=CC=CC=C34)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)[C@@H]3[C@H](C(OC4=CC=CC=C34)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O3/c1-12-17(13-8-4-6-10-15(13)21-12)18-14-9-5-7-11-16(14)25-20(2,3)19(18)22(23)24/h4-11,18-19,21H,1-3H3/t18-,19-/m1/s1