(3S,4R)-2,2-dimethyl-4-(4-methylpiperidin-1-yl)-6-nitro-3,4-dihydrochromen-3-ol

Systemtic Name: (3S,4R)-2,2-dimethyl-4-(4-methylpiperidin-1-yl)-6-nitro-3,4-dihydrochromen-3-ol Openeye Name: (3S,4R)-2,2-dimethyl-4-(4-methyl-1-piperidyl)-6-nitro-chroman-3-ol CAS Name: (3S,4R)-2,2-dimethyl-4-(4-methyl-1-piperidinyl)-6-nitro-3,4-dihydro-2H-1-benzopyran-3-ol IUPAC Name: (3S,4R)-2,2-dimethyl-4-(4-methylpiperidin-1-yl)-6-nitro-3,4-dihydrochromen-3-ol Traditional Name: (3S,4R)-2,2-dimethyl-4-(4-methylpiperidino)-6-nitro-chroman-3-ol Formula: C17H24N2O4 MolecularWeight: 320.38346

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2C(C(OC3=C2C=C(C=C3)[N+](=O)[O-])(C)C)O

Isomeric SMILES

CC1CCN(CC1)[C@H]2[C@@H](C(OC3=C2C=C(C=C3)[N+](=O)[O-])(C)C)O

InChI

InChI=1S/C17H24N2O4/c1-11-6-8-18(9-7-11)15-13-10-12(19(21)22)4-5-14(13)23-17(2,3)16(15)20/h4-5,10-11,15-16,20H,6-9H2,1-3H3/t15-,16+/m1/s1