N-(3-imidazol-1-ylpropyl)-5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-2H-1,2-oxazole-3-carboxamide

Systemtic Name: N-(3-imidazol-1-ylpropyl)-5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-2H-1,2-oxazole-3-carboxamide Openeye Name: N-(3-imidazol-1-ylpropyl)-5-(4-oxocyclohexa-2,5-dien-1-ylidene)-2H-isoxazole-3-carboxamide CAS Name: N-[3-(1-imidazolyl)propyl]-5-(4-oxo-1-cyclohexa-2,5-dienylidene)-2H-isoxazole-3-carboxamide IUPAC Name: N-(3-imidazol-1-ylpropyl)-5-(4-oxocyclohexa-2,5-dien-1-ylidene)-2H-1,2-oxazole-3-carboxamide Traditional Name: N-(3-imidazol-1-ylpropyl)-5-(4-ketocyclohexa-2,5-dien-1-ylidene)-3-isoxazoline-3-carboxamide Formula: C16H16N4O3 MolecularWeight: 312.32324

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C=CC1=C2C=C(NO2)C(=O)NCCCN3C=CN=C3

Isomeric SMILES

C1=CC(=O)C=CC1=C2C=C(NO2)C(=O)NCCCN3C=CN=C3

InChI

InChI=1S/C16H16N4O3/c21-13-4-2-12(3-5-13)15-10-14(19-23-15)16(22)18-6-1-8-20-9-7-17-11-20/h2-5,7,9-11,19H,1,6,8H2,(H,18,22)