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

Systemtic Name: 5-[(2-azanylbenzimidazol-1-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione Openeye Name: 5-[(2-aminobenzimidazol-1-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione CAS Name: 5-[(2-amino-1-benzimidazolyl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione IUPAC Name: 5-[(2-aminobenzimidazol-1-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione Traditional Name: 5-[(2-aminobenzimidazol-1-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-quinone Formula: C16H12N6O4 MolecularWeight: 352.30428

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(N2CC3=CC(=CC4=C3NC(=O)C(=O)N4)[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(N2CC3=CC(=CC4=C3NC(=O)C(=O)N4)[N+](=O)[O-])N

InChI

InChI=1S/C16H12N6O4/c17-16-19-10-3-1-2-4-12(10)21(16)7-8-5-9(22(25)26)6-11-13(8)20-15(24)14(23)18-11/h1-6H,7H2,(H2,17,19)(H,18,23)(H,20,24)