5-methyl-2-(3-nitrophenyl)-1-oxidanyl-4-phenyl-imidazole hydrate

Systemtic Name: 5-methyl-2-(3-nitrophenyl)-1-oxidanyl-4-phenyl-imidazole hydrate Openeye Name: 1-hydroxy-5-methyl-2-(3-nitrophenyl)-4-phenyl-imidazole hydrate CAS Name: 1-hydroxy-5-methyl-2-(3-nitrophenyl)-4-phenylimidazole hydrate IUPAC Name: 1-hydroxy-5-methyl-2-(3-nitrophenyl)-4-phenylimidazole hydrate Traditional Name: 1-hydroxy-5-methyl-2-(3-nitrophenyl)-4-phenyl-imidazole hydrate Formula: C16H15N3O4 MolecularWeight: 313.308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N1O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3.O

Isomeric SMILES

CC1=C(N=C(N1O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3.O

InChI

InChI=1S/C16H13N3O3.H2O/c1-11-15(12-6-3-2-4-7-12)17-16(18(11)20)13-8-5-9-14(10-13)19(21)22;/h2-10,20H,1H3;1H2