N-[5-(diethylamino)pentan-2-ylidene]-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline-4-carboxamide; phosphoric acid

Systemtic Name: N-[5-(diethylamino)pentan-2-ylidene]-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline-4-carboxamide; phosphoric acid Openeye Name: N-[4-(diethylamino)-1-methyl-butylidene]-2-[(E)-2-(5-nitro-2-furyl)vinyl]quinoline-4-carboxamide; phosphoric acid CAS Name: N-[5-(diethylamino)pentan-2-ylidene]-2-[(E)-2-(5-nitro-2-furanyl)ethenyl]-4-quinolinecarboxamide; phosphoric acid IUPAC Name: N-[5-(diethylamino)pentan-2-ylidene]-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline-4-carboxamide; phosphoric acid Traditional Name: N-[4-(diethylamino)-1-methyl-butylidene]-2-[(E)-2-(5-nitro-2-furyl)vinyl]cinchoninamide; phosphoric acid Formula: C25H34N4O12P2 MolecularWeight: 644.504582

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCC(=NC(=O)C1=CC(=NC2=CC=CC=C21)C=CC3=CC=C(O3)[N+](=O)[O-])C.OP(=O)(O)O.OP(=O)(O)O

Isomeric SMILES

CCN(CC)CCCC(=NC(=O)C1=CC(=NC2=CC=CC=C21)/C=C/C3=CC=C(O3)[N+](=O)[O-])C.OP(=O)(O)O.OP(=O)(O)O

InChI

InChI=1S/C25H28N4O4.2H3O4P/c1-4-28(5-2)16-8-9-18(3)26-25(30)22-17-19(27-23-11-7-6-10-21(22)23)12-13-20-14-15-24(33-20)29(31)32;2*1-5(2,3)4/h6-7,10-15,17H,4-5,8-9,16H2,1-3H3;2*(H3,1,2,3,4)/b13-12+,26-18?;;