7-nitro-5-[[(2-oxidanylideneazepin-3-yl)amino]methyl]-1,4-dihydroquinoxaline-2,3-dione

Systemtic Name: 7-nitro-5-[[(2-oxidanylideneazepin-3-yl)amino]methyl]-1,4-dihydroquinoxaline-2,3-dione Openeye Name: 7-nitro-5-[[(2-oxoazepin-3-yl)amino]methyl]-1,4-dihydroquinoxaline-2,3-dione CAS Name: 7-nitro-5-[[(2-oxo-3-azepinyl)amino]methyl]-1,4-dihydroquinoxaline-2,3-dione IUPAC Name: 7-nitro-5-[[(2-oxoazepin-3-yl)amino]methyl]-1,4-dihydroquinoxaline-2,3-dione Traditional Name: 5-[[(2-ketoazepin-3-yl)amino]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-quinone Formula: C15H11N5O5 MolecularWeight: 341.27834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=O)C(=C1)NCC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=NC(=O)C(=C1)NCC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-]

InChI

InChI=1S/C15H11N5O5/c21-13-10(3-1-2-4-16-13)17-7-8-5-9(20(24)25)6-11-12(8)19-15(23)14(22)18-11/h1-6H,7H2,(H,18,22)(H,19,23)(H,16,17,21)