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

Systemtic Name: 4-[(E)-3-(4-tert-butylphenyl)-2-cyano-3-oxidanylidene-prop-1-enyl]-2-nitro-phenolate Openeye Name: 4-[(E)-3-(4-tert-butylphenyl)-2-cyano-3-oxo-prop-1-enyl]-2-nitro-phenolate CAS Name: 4-[(E)-3-(4-tert-butylphenyl)-2-cyano-3-oxoprop-1-enyl]-2-nitrophenolate IUPAC Name: 4-[(E)-3-(4-tert-butylphenyl)-2-cyano-3-oxoprop-1-enyl]-2-nitrophenolate Traditional Name: 4-[(E)-3-(4-tert-butylphenyl)-2-cyano-3-keto-prop-1-enyl]-2-nitro-phenolate Formula: C20H17N2O4- MolecularWeight: 349.35998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O4/c1-20(2,3)16-7-5-14(6-8-16)19(24)15(12-21)10-13-4-9-18(23)17(11-13)22(25)26/h4-11,23H,1-3H3/p-1/b15-10+