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

Systemtic Name: [5-[(E)-2-cyano-3-(diethylamino)-3-oxidanylidene-prop-1-enyl]-3-nitro-2-oxidanyl-phenyl] dihydrogen phosphate Openeye Name: [5-[(E)-2-cyano-3-(diethylamino)-3-oxo-prop-1-enyl]-2-hydroxy-3-nitro-phenyl] dihydrogen phosphate CAS Name: [5-[(E)-2-cyano-3-(diethylamino)-3-oxoprop-1-enyl]-2-hydroxy-3-nitrophenyl] dihydrogen phosphate IUPAC Name: [5-[(E)-2-cyano-3-(diethylamino)-3-oxoprop-1-enyl]-2-hydroxy-3-nitrophenyl] dihydrogen phosphate Traditional Name: [5-[(E)-2-cyano-3-(diethylamino)-3-keto-prop-1-enyl]-2-hydroxy-3-nitro-phenyl] dihydrogen phosphate Formula: C14H16N3O8P MolecularWeight: 385.265901

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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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N3O8P/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)/b10-5+