4-[(E)-3-(4-chlorophenyl)-2-cyano-3-oxidanylidene-prop-1-enyl]-2-nitro-phenolate

Systemtic Name: 4-[(E)-3-(4-chlorophenyl)-2-cyano-3-oxidanylidene-prop-1-enyl]-2-nitro-phenolate Openeye Name: 4-[(E)-3-(4-chlorophenyl)-2-cyano-3-oxo-prop-1-enyl]-2-nitro-phenolate CAS Name: 4-[(E)-3-(4-chlorophenyl)-2-cyano-3-oxoprop-1-enyl]-2-nitrophenolate IUPAC Name: 4-[(E)-3-(4-chlorophenyl)-2-cyano-3-oxoprop-1-enyl]-2-nitrophenolate Traditional Name: 4-[(E)-3-(4-chlorophenyl)-2-cyano-3-keto-prop-1-enyl]-2-nitro-phenolate Formula: C16H8ClN2O4- MolecularWeight: 327.69872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C(=CC2=CC(=C(C=C2)[O-])[N+](=O)[O-])C#N)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)/C(=C/C2=CC(=C(C=C2)[O-])[N+](=O)[O-])/C#N)Cl

InChI

InChI=1S/C16H9ClN2O4/c17-13-4-2-11(3-5-13)16(21)12(9-18)7-10-1-6-15(20)14(8-10)19(22)23/h1-8,20H/p-1/b12-7+