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

Systemtic Name: 4-(diethoxyphosphorylmethyl)-7-imidazol-1-yl-6-nitro-1H-quinoxaline-2,3-dione Openeye Name: 4-(diethoxyphosphorylmethyl)-7-imidazol-1-yl-6-nitro-1H-quinoxaline-2,3-dione CAS Name: 4-(diethoxyphosphorylmethyl)-7-(1-imidazolyl)-6-nitro-1H-quinoxaline-2,3-dione IUPAC Name: 4-(diethoxyphosphorylmethyl)-7-imidazol-1-yl-6-nitro-1H-quinoxaline-2,3-dione Traditional Name: 4-(diethoxyphosphorylmethyl)-7-imidazol-1-yl-6-nitro-1H-quinoxaline-2,3-quinone Formula: C16H18N5O7P MolecularWeight: 423.317181

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CN1C2=CC(=C(C=C2NC(=O)C1=O)N3C=CN=C3)[N+](=O)[O-])OCC

Isomeric SMILES

CCOP(=O)(CN1C2=CC(=C(C=C2NC(=O)C1=O)N3C=CN=C3)[N+](=O)[O-])OCC

InChI

InChI=1S/C16H18N5O7P/c1-3-27-29(26,28-4-2)10-20-12-8-14(21(24)25)13(19-6-5-17-9-19)7-11(12)18-15(22)16(20)23/h5-9H,3-4,10H2,1-2H3,(H,18,22)