7-imidazol-1-yl-2,3-bis(oxidanylidene)-1-phenyl-4H-quinoxaline-6-carbonitrile hydrate

Systemtic Name: 7-imidazol-1-yl-2,3-bis(oxidanylidene)-1-phenyl-4H-quinoxaline-6-carbonitrile hydrate Openeye Name: 7-imidazol-1-yl-2,3-dioxo-1-phenyl-4H-quinoxaline-6-carbonitrile hydrate CAS Name: 7-(1-imidazolyl)-2,3-dioxo-1-phenyl-4H-quinoxaline-6-carbonitrile hydrate IUPAC Name: 7-imidazol-1-yl-2,3-dioxo-1-phenyl-4H-quinoxaline-6-carbonitrile hydrate Traditional Name: 7-imidazol-1-yl-2,3-diketo-1-phenyl-4H-quinoxaline-6-carbonitrile hydrate Formula: C18H13N5O3 MolecularWeight: 347.32752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=C(C(=C3)N4C=CN=C4)C#N)NC(=O)C2=O.O

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=C(C(=C3)N4C=CN=C4)C#N)NC(=O)C2=O.O

InChI

InChI=1S/C18H11N5O2.H2O/c19-10-12-8-14-16(9-15(12)22-7-6-20-11-22)23(18(25)17(24)21-14)13-4-2-1-3-5-13;/h1-9,11H,(H,21,24);1H2