2,6-dimethyl-4-[[5-(4-nitrophenyl)-1,2,3,4-tetrazol-1-yl]methyl]phenol

Systemtic Name: 2,6-dimethyl-4-[[5-(4-nitrophenyl)-1,2,3,4-tetrazol-1-yl]methyl]phenol Openeye Name: 2,6-dimethyl-4-[[5-(4-nitrophenyl)tetrazol-1-yl]methyl]phenol CAS Name: 2,6-dimethyl-4-[[5-(4-nitrophenyl)-1-tetrazolyl]methyl]phenol IUPAC Name: 2,6-dimethyl-4-[[5-(4-nitrophenyl)tetrazol-1-yl]methyl]phenol Traditional Name: 2,6-dimethyl-4-[[5-(4-nitrophenyl)tetrazol-1-yl]methyl]phenol Formula: C16H15N5O3 MolecularWeight: 325.322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)CN2C(=NN=N2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1O)C)CN2C(=NN=N2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H15N5O3/c1-10-7-12(8-11(2)15(10)22)9-20-16(17-18-19-20)13-3-5-14(6-4-13)21(23)24/h3-8,22H,9H2,1-2H3