N-[2-[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]ethyl]ethanamide

Systemtic Name: N-[2-[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]ethyl]ethanamide Openeye Name: N-[2-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]ethyl]acetamide CAS Name: N-[2-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]ethyl]acetamide IUPAC Name: N-[2-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]ethyl]acetamide Traditional Name: N-[2-[(2,3-diketo-7-nitro-1,4-dihydroquinoxalin-5-yl)methylamino]ethyl]acetamide Formula: C13H15N5O5 MolecularWeight: 321.2887

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNCC1=CC(=CC2=C1NC(=O)C(=O)N2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NCCNCC1=CC(=CC2=C1NC(=O)C(=O)N2)[N+](=O)[O-]

InChI

InChI=1S/C13H15N5O5/c1-7(19)15-3-2-14-6-8-4-9(18(22)23)5-10-11(8)17-13(21)12(20)16-10/h4-5,14H,2-3,6H2,1H3,(H,15,19)(H,16,20)(H,17,21)