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

Systemtic Name: (4Z)-4-(4-methyl-3-oxidanyl-5-phenyl-1H-imidazol-2-ylidene)-2-oxidanyl-cyclohexa-2,5-dien-1-one hydrate Openeye Name: (4Z)-2-hydroxy-4-(3-hydroxy-4-methyl-5-phenyl-1H-imidazol-2-ylidene)cyclohexa-2,5-dien-1-one hydrate CAS Name: (4Z)-2-hydroxy-4-(3-hydroxy-4-methyl-5-phenyl-1H-imidazol-2-ylidene)-1-cyclohexa-2,5-dienone hydrate IUPAC Name: (4Z)-2-hydroxy-4-(3-hydroxy-4-methyl-5-phenyl-1H-imidazol-2-ylidene)cyclohexa-2,5-dien-1-one hydrate Traditional Name: (4Z)-2-hydroxy-4-(1-hydroxy-5-methyl-4-phenyl-4-imidazolin-2-ylidene)cyclohexa-2,5-dien-1-one hydrate Formula: C16H16N2O4 MolecularWeight: 300.30924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C2C=CC(=O)C(=C2)O)N1O)C3=CC=CC=C3.O

Isomeric SMILES

CC1=C(N/C(=C/2\C=CC(=O)C(=C2)O)/N1O)C3=CC=CC=C3.O

InChI

InChI=1S/C16H14N2O3.H2O/c1-10-15(11-5-3-2-4-6-11)17-16(18(10)21)12-7-8-13(19)14(20)9-12;/h2-9,17,20-21H,1H3;1H2/b16-12-;