5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-7-nitro-1,4-dihydroquinoxaline-2,3-dione

Systemtic Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-7-nitro-1,4-dihydroquinoxaline-2,3-dione Openeye Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-7-nitro-1,4-dihydroquinoxaline-2,3-dione CAS Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-7-nitro-1,4-dihydroquinoxaline-2,3-dione IUPAC Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-7-nitro-1,4-dihydroquinoxaline-2,3-dione Traditional Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-7-nitro-1,4-dihydroquinoxaline-2,3-quinone Formula: C18H16N4O4 MolecularWeight: 352.34404

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CC3=CC(=CC4=C3NC(=O)C(=O)N4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CC3=CC(=CC4=C3NC(=O)C(=O)N4)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O4/c23-17-18(24)20-16-13(7-14(22(25)26)8-15(16)19-17)10-21-6-5-11-3-1-2-4-12(11)9-21/h1-4,7-8H,5-6,9-10H2,(H,19,23)(H,20,24)