[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]methylphosphonic acid; 8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione

Systemtic Name: [[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]methylphosphonic acid; 8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione Openeye Name: [(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]methylphosphonic acid; 8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione CAS Name: [(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]methylphosphonic acid; 8-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-8-azaspiro[4.5]decane-7,9-dione IUPAC Name: [(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]methylphosphonic acid; 8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione Traditional Name: [(2,3-diketo-7-nitro-1,4-dihydroquinoxalin-5-yl)methylamino]methylphosphonic acid; 8-[4-[4-(2-pyrimidyl)piperazino]butyl]-8-azaspiro[4.5]decane-7,9-quinone Formula: C31H42N9O9P MolecularWeight: 715.693841

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C1)CC(=O)N(C(=O)C2)CCCCN3CCN(CC3)C4=NC=CC=N4.C1=C(C=C(C2=C1NC(=O)C(=O)N2)CNCP(=O)(O)O)[N+](=O)[O-]

Isomeric SMILES

C1CCC2(C1)CC(=O)N(C(=O)C2)CCCCN3CCN(CC3)C4=NC=CC=N4.C1=C(C=C(C2=C1NC(=O)C(=O)N2)CNCP(=O)(O)O)[N+](=O)[O-]

InChI

InChI=1S/C21H31N5O2.C10H11N4O7P/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20;15-9-10(16)13-8-5(3-11-4-22(19,20)21)1-6(14(17)18)2-7(8)12-9/h5,8-9H,1-4,6-7,10-17H2;1-2,11H,3-4H2,(H,12,15)(H,13,16)(H2,19,20,21)