ethyl 2-[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-6-yl]sulfanyl]-1H-imidazole-5-carboxylate

Systemtic Name: ethyl 2-[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-6-yl]sulfanyl]-1H-imidazole-5-carboxylate Openeye Name: ethyl 2-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfanyl]-1H-imidazole-5-carboxylate CAS Name: 2-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-6-yl)thio]-1H-imidazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfanyl]-1H-imidazole-5-carboxylate Traditional Name: 2-[(2,3-diketo-7-nitro-1,4-dihydroquinoxalin-6-yl)thio]-1H-imidazole-5-carboxylic acid ethyl ester Formula: C14H11N5O6S MolecularWeight: 377.33204

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N1)SC2=C(C=C3C(=C2)NC(=O)C(=O)N3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CN=C(N1)SC2=C(C=C3C(=C2)NC(=O)C(=O)N3)[N+](=O)[O-]

InChI

InChI=1S/C14H11N5O6S/c1-2-25-13(22)8-5-15-14(18-8)26-10-4-7-6(3-9(10)19(23)24)16-11(20)12(21)17-7/h3-5H,2H2,1H3,(H,15,18)(H,16,20)(H,17,21)