(6Z)-4-bromanyl-6-(4-methyl-3-oxidanyl-5-phenyl-1H-imidazol-2-ylidene)cyclohexa-2,4-dien-1-one hydrate

Systemtic Name: (6Z)-4-bromanyl-6-(4-methyl-3-oxidanyl-5-phenyl-1H-imidazol-2-ylidene)cyclohexa-2,4-dien-1-one hydrate Openeye Name: (6Z)-4-bromo-6-(3-hydroxy-4-methyl-5-phenyl-1H-imidazol-2-ylidene)cyclohexa-2,4-dien-1-one hydrate CAS Name: (6Z)-4-bromo-6-(3-hydroxy-4-methyl-5-phenyl-1H-imidazol-2-ylidene)-1-cyclohexa-2,4-dienone hydrate IUPAC Name: (6Z)-4-bromo-6-(3-hydroxy-4-methyl-5-phenyl-1H-imidazol-2-ylidene)cyclohexa-2,4-dien-1-one hydrate Traditional Name: (6Z)-4-bromo-6-(1-hydroxy-5-methyl-4-phenyl-4-imidazolin-2-ylidene)cyclohexa-2,4-dien-1-one hydrate Formula: C16H15BrN2O3 MolecularWeight: 363.2059

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C2C=C(C=CC2=O)Br)N1O)C3=CC=CC=C3.O

Isomeric SMILES

CC1=C(N/C(=C/2\C=C(C=CC2=O)Br)/N1O)C3=CC=CC=C3.O

InChI

InChI=1S/C16H13BrN2O2.H2O/c1-10-15(11-5-3-2-4-6-11)18-16(19(10)21)13-9-12(17)7-8-14(13)20;/h2-9,18,21H,1H3;1H2/b16-13-;