6-nitro-7-(4-phenylimidazol-1-yl)-1,4-dihydroquinoxaline-2,3-dione hydrate

Systemtic Name: 6-nitro-7-(4-phenylimidazol-1-yl)-1,4-dihydroquinoxaline-2,3-dione hydrate Openeye Name: 6-nitro-7-(4-phenylimidazol-1-yl)-1,4-dihydroquinoxaline-2,3-dione hydrate CAS Name: 6-nitro-7-(4-phenyl-1-imidazolyl)-1,4-dihydroquinoxaline-2,3-dione hydrate IUPAC Name: 6-nitro-7-(4-phenylimidazol-1-yl)-1,4-dihydroquinoxaline-2,3-dione hydrate Traditional Name: 6-nitro-7-(4-phenylimidazol-1-yl)-1,4-dihydroquinoxaline-2,3-quinone hydrate Formula: C17H13N5O5 MolecularWeight: 367.31562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN(C=N2)C3=C(C=C4C(=C3)NC(=O)C(=O)N4)[N+](=O)[O-].O

Isomeric SMILES

C1=CC=C(C=C1)C2=CN(C=N2)C3=C(C=C4C(=C3)NC(=O)C(=O)N4)[N+](=O)[O-].O

InChI

InChI=1S/C17H11N5O4.H2O/c23-16-17(24)20-12-7-15(22(25)26)14(6-11(12)19-16)21-8-13(18-9-21)10-4-2-1-3-5-10;/h1-9H,(H,19,23)(H,20,24);1H2