2,2-dimethyl-6-nitro-4-(propan-2-ylamino)-3,4-dihydrochromen-3-ol hydrochloride

Systemtic Name: 2,2-dimethyl-6-nitro-4-(propan-2-ylamino)-3,4-dihydrochromen-3-ol hydrochloride Openeye Name: 4-(isopropylamino)-2,2-dimethyl-6-nitro-chroman-3-ol hydrochloride CAS Name: 2,2-dimethyl-6-nitro-4-(propan-2-ylamino)-3,4-dihydro-2H-1-benzopyran-3-ol hydrochloride IUPAC Name: 2,2-dimethyl-6-nitro-4-(propan-2-ylamino)-3,4-dihydrochromen-3-ol hydrochloride Traditional Name: 4-(isopropylamino)-2,2-dimethyl-6-nitro-chroman-3-ol hydrochloride Formula: C14H21ClN2O4 MolecularWeight: 316.78054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1C(C(OC2=C1C=C(C=C2)[N+](=O)[O-])(C)C)O.Cl

Isomeric SMILES

CC(C)NC1C(C(OC2=C1C=C(C=C2)[N+](=O)[O-])(C)C)O.Cl

InChI

InChI=1S/C14H20N2O4.ClH/c1-8(2)15-12-10-7-9(16(18)19)5-6-11(10)20-14(3,4)13(12)17;/h5-8,12-13,15,17H,1-4H3;1H