trisodium [5-[(E)-2-cyano-3-(diethylamino)-3-oxidanylidene-prop-1-enyl]-3-nitro-2-oxidanidyl-phenyl] phosphate

Systemtic Name: trisodium [5-[(E)-2-cyano-3-(diethylamino)-3-oxidanylidene-prop-1-enyl]-3-nitro-2-oxidanidyl-phenyl] phosphate Openeye Name: trisodium [5-[(E)-2-cyano-3-(diethylamino)-3-oxo-prop-1-enyl]-3-nitro-2-oxido-phenyl] phosphate CAS Name: trisodium [5-[(E)-2-cyano-3-(diethylamino)-3-oxoprop-1-enyl]-3-nitro-2-oxidophenyl] phosphate IUPAC Name: trisodium [5-[(E)-2-cyano-3-(diethylamino)-3-oxoprop-1-enyl]-3-nitro-2-oxidophenyl] phosphate Traditional Name: trisodium [5-[(E)-2-cyano-3-(diethylamino)-3-keto-prop-1-enyl]-3-nitro-2-oxido-phenyl] phosphate Formula: C14H13N3Na3O8P MolecularWeight: 451.211391

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C(=CC1=CC(=C(C(=C1)OP(=O)([O-])[O-])[O-])[N+](=O)[O-])C#N.[Na+].[Na+].[Na+]

Isomeric SMILES

CCN(CC)C(=O)/C(=C/C1=CC(=C(C(=C1)OP(=O)([O-])[O-])[O-])[N+](=O)[O-])/C#N.[Na+].[Na+].[Na+]

InChI

InChI=1S/C14H16N3O8P.3Na/c1-3-16(4-2)14(19)10(8-15)5-9-6-11(17(20)21)13(18)12(7-9)25-26(22,23)24;;;/h5-7,18H,3-4H2,1-2H3,(H2,22,23,24);;;/q;3*+1/p-3/b10-5+;;;