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

Systemtic Name: 7-nitro-5-[(1-oxidanylidene-3,4-dihydroisoquinolin-2-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione Openeye Name: 7-nitro-5-[(1-oxo-3,4-dihydroisoquinolin-2-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione CAS Name: 7-nitro-5-[(1-oxo-3,4-dihydroisoquinolin-2-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione IUPAC Name: 7-nitro-5-[(1-oxo-3,4-dihydroisoquinolin-2-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione Traditional Name: 5-[(1-keto-3,4-dihydroisoquinolin-2-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-quinone Formula: C18H14N4O5 MolecularWeight: 366.32756

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C2=CC=CC=C21)CC3=CC(=CC4=C3NC(=O)C(=O)N4)[N+](=O)[O-]

Isomeric SMILES

C1CN(C(=O)C2=CC=CC=C21)CC3=CC(=CC4=C3NC(=O)C(=O)N4)[N+](=O)[O-]

InChI

InChI=1S/C18H14N4O5/c23-16-17(24)20-15-11(7-12(22(26)27)8-14(15)19-16)9-21-6-5-10-3-1-2-4-13(10)18(21)25/h1-4,7-8H,5-6,9H2,(H,19,23)(H,20,24)