5-[(3-azanyl-1H-1,2,4-triazol-5-yl)methyl]-6-methyl-7-nitro-1,4-dihydroquinoxaline-2,3-dione

Systemtic Name: 5-[(3-azanyl-1H-1,2,4-triazol-5-yl)methyl]-6-methyl-7-nitro-1,4-dihydroquinoxaline-2,3-dione Openeye Name: 5-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-6-methyl-7-nitro-1,4-dihydroquinoxaline-2,3-dione CAS Name: 5-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-6-methyl-7-nitro-1,4-dihydroquinoxaline-2,3-dione IUPAC Name: 5-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-6-methyl-7-nitro-1,4-dihydroquinoxaline-2,3-dione Traditional Name: 5-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-6-methyl-7-nitro-1,4-dihydroquinoxaline-2,3-quinone Formula: C12H11N7O4 MolecularWeight: 317.26024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1CC3=NC(=NN3)N)NC(=O)C(=O)N2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C2C(=C1CC3=NC(=NN3)N)NC(=O)C(=O)N2)[N+](=O)[O-]

InChI

InChI=1S/C12H11N7O4/c1-4-5(2-8-15-12(13)18-17-8)9-6(3-7(4)19(22)23)14-10(20)11(21)16-9/h3H,2H2,1H3,(H,14,20)(H,16,21)(H3,13,15,17,18)