4-[(E)-3-(4-chlorophenyl)-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[(E)-3-(4-chlorophenyl)-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(E)-3-(4-chlorophenyl)-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(E)-3-(4-chlorophenyl)-2-cyano-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(E)-3-(4-chlorophenyl)-2-cyano-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(E)-3-(4-chlorophenyl)-2-cyano-3-keto-prop-1-enyl]-2-methoxy-6-nitro-phenolate Formula: C17H10ClN2O5- MolecularWeight: 357.7247

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C=C(C#N)C(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])/C=C(\C#N)/C(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H11ClN2O5/c1-25-15-8-10(7-14(17(15)22)20(23)24)6-12(9-19)16(21)11-2-4-13(18)5-3-11/h2-8,22H,1H3/p-1/b12-6+