sodium 6-imidazol-1-yl-4-(3-methylbutyl)-7-nitro-1H-quinoxaline-2,3-dione

Systemtic Name: sodium 6-imidazol-1-yl-4-(3-methylbutyl)-7-nitro-1H-quinoxaline-2,3-dione Openeye Name: sodium 6-imidazol-1-yl-4-isopentyl-7-nitro-1H-quinoxaline-2,3-dione CAS Name: sodium 6-(1-imidazolyl)-4-(3-methylbutyl)-7-nitro-1H-quinoxaline-2,3-dione IUPAC Name: sodium 6-imidazol-1-yl-4-(3-methylbutyl)-7-nitro-1H-quinoxaline-2,3-dione Traditional Name: sodium 6-imidazol-1-yl-4-isoamyl-7-nitro-1H-quinoxaline-2,3-quinone Formula: C16H17N5NaO4+ MolecularWeight: 366.32705

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=CC(=C(C=C2NC(=O)C1=O)[N+](=O)[O-])N3C=CN=C3.[Na+]

Isomeric SMILES

CC(C)CCN1C2=CC(=C(C=C2NC(=O)C1=O)[N+](=O)[O-])N3C=CN=C3.[Na+]

InChI

InChI=1S/C16H17N5O4.Na/c1-10(2)3-5-20-12-8-13(19-6-4-17-9-19)14(21(24)25)7-11(12)18-15(22)16(20)23;/h4,6-10H,3,5H2,1-2H3,(H,18,22);/q;+1