5-(hydroxymethyl)-4-(8-methoxy-5-nitro-3,4-dihydro-1H-2,3-benzoxazin-4-yl)-2-methyl-pyridin-3-ol hydrochloride

Systemtic Name: 5-(hydroxymethyl)-4-(8-methoxy-5-nitro-3,4-dihydro-1H-2,3-benzoxazin-4-yl)-2-methyl-pyridin-3-ol hydrochloride Openeye Name: 5-(hydroxymethyl)-4-(8-methoxy-5-nitro-3,4-dihydro-1H-2,3-benzoxazin-4-yl)-2-methyl-pyridin-3-ol hydrochloride CAS Name: 5-(hydroxymethyl)-4-(8-methoxy-5-nitro-3,4-dihydro-1H-2,3-benzoxazin-4-yl)-2-methyl-3-pyridinol hydrochloride IUPAC Name: 5-(hydroxymethyl)-4-(8-methoxy-5-nitro-3,4-dihydro-1H-2,3-benzoxazin-4-yl)-2-methylpyridin-3-ol hydrochloride Traditional Name: 4-(8-methoxy-5-nitro-3,4-dihydro-1H-2,3-benzoxazin-4-yl)-2-methyl-5-methylol-pyridin-3-ol hydrochloride Formula: C16H18ClN3O6 MolecularWeight: 383.78362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)C2C3=C(C=CC(=C3CON2)OC)[N+](=O)[O-])CO.Cl

Isomeric SMILES

CC1=NC=C(C(=C1O)C2C3=C(C=CC(=C3CON2)OC)[N+](=O)[O-])CO.Cl

InChI

InChI=1S/C16H17N3O6.ClH/c1-8-16(21)13(9(6-20)5-17-8)15-14-10(7-25-18-15)12(24-2)4-3-11(14)19(22)23;/h3-5,15,18,20-21H,6-7H2,1-2H3;1H