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

Systemtic Name: 4-[(E)-2-cyano-3-oxidanylidene-3-(4-propylphenyl)prop-1-enyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(E)-2-cyano-3-oxo-3-(4-propylphenyl)prop-1-enyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(E)-2-cyano-3-oxo-3-(4-propylphenyl)prop-1-enyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(E)-2-cyano-3-oxo-3-(4-propylphenyl)prop-1-enyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(E)-2-cyano-3-keto-3-(4-propylphenyl)prop-1-enyl]-2-methoxy-6-nitro-phenolate Formula: C20H17N2O5- MolecularWeight: 365.35938

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)C(=CC2=CC(=C(C(=C2)OC)[O-])[N+](=O)[O-])C#N

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)/C(=C/C2=CC(=C(C(=C2)OC)[O-])[N+](=O)[O-])/C#N

InChI

InChI=1S/C20H18N2O5/c1-3-4-13-5-7-15(8-6-13)19(23)16(12-21)9-14-10-17(22(25)26)20(24)18(11-14)27-2/h5-11,24H,3-4H2,1-2H3/p-1/b16-9+