5-[(4,5-dihydro-1,3-thiazol-2-ylamino)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione

Systemtic Name: 5-[(4,5-dihydro-1,3-thiazol-2-ylamino)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione Openeye Name: 5-[(4,5-dihydrothiazol-2-ylamino)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione CAS Name: 5-[(4,5-dihydrothiazol-2-ylamino)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione IUPAC Name: 5-[(4,5-dihydro-1,3-thiazol-2-ylamino)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione Traditional Name: 7-nitro-5-[(2-thiazolin-2-ylamino)methyl]-1,4-dihydroquinoxaline-2,3-quinone Formula: C12H11N5O4S MolecularWeight: 321.31184

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=N1)NCC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-]

Isomeric SMILES

C1CSC(=N1)NCC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-]

InChI

InChI=1S/C12H11N5O4S/c18-10-11(19)16-9-6(5-14-12-13-1-2-22-12)3-7(17(20)21)4-8(9)15-10/h3-4H,1-2,5H2,(H,13,14)(H,15,18)(H,16,19)