[1-(2-chlorophenyl)-2-[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]ethyl]phosphonic acid

Systemtic Name: [1-(2-chlorophenyl)-2-[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]ethyl]phosphonic acid Openeye Name: [1-(2-chlorophenyl)-2-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]ethyl]phosphonic acid CAS Name: [1-(2-chlorophenyl)-2-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]ethyl]phosphonic acid IUPAC Name: [1-(2-chlorophenyl)-2-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]ethyl]phosphonic acid Traditional Name: [1-(2-chlorophenyl)-2-[(2,3-diketo-7-nitro-1,4-dihydroquinoxalin-5-yl)methylamino]ethyl]phosphonic acid Formula: C17H16ClN4O7P MolecularWeight: 454.758301

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(CNCC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-])P(=O)(O)O)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(CNCC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-])P(=O)(O)O)Cl

InChI

InChI=1S/C17H16ClN4O7P/c18-12-4-2-1-3-11(12)14(30(27,28)29)8-19-7-9-5-10(22(25)26)6-13-15(9)21-17(24)16(23)20-13/h1-6,14,19H,7-8H2,(H,20,23)(H,21,24)(H2,27,28,29)