2,2-dimethyl-3-[(4-nitrophenoxy)methyl]-4-(1,2,4-triazol-1-yl)pentan-3-ol

Systemtic Name: 2,2-dimethyl-3-[(4-nitrophenoxy)methyl]-4-(1,2,4-triazol-1-yl)pentan-3-ol Openeye Name: 2,2-dimethyl-3-[(4-nitrophenoxy)methyl]-4-(1,2,4-triazol-1-yl)pentan-3-ol CAS Name: 2,2-dimethyl-3-[(4-nitrophenoxy)methyl]-4-(1,2,4-triazol-1-yl)-3-pentanol IUPAC Name: 2,2-dimethyl-3-[(4-nitrophenoxy)methyl]-4-(1,2,4-triazol-1-yl)pentan-3-ol Traditional Name: 2,2-dimethyl-3-[(4-nitrophenoxy)methyl]-4-(1,2,4-triazol-1-yl)pentan-3-ol Formula: C16H22N4O4 MolecularWeight: 334.37028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(COC1=CC=C(C=C1)[N+](=O)[O-])(C(C)(C)C)O)N2C=NC=N2

Isomeric SMILES

CC(C(COC1=CC=C(C=C1)[N+](=O)[O-])(C(C)(C)C)O)N2C=NC=N2

InChI

InChI=1S/C16H22N4O4/c1-12(19-11-17-10-18-19)16(21,15(2,3)4)9-24-14-7-5-13(6-8-14)20(22)23/h5-8,10-12,21H,9H2,1-4H3