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

Systemtic Name: 4-[(E)-3-(4-tert-butylphenyl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(E)-3-(4-tert-butylphenyl)-3-oxo-prop-1-enyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(E)-3-(4-tert-butylphenyl)-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(E)-3-(4-tert-butylphenyl)-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(E)-3-(4-tert-butylphenyl)-3-keto-prop-1-enyl]-2-methoxy-6-nitro-phenolate Formula: C20H20NO5- MolecularWeight: 354.3765

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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)OC)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO5/c1-20(2,3)15-8-6-14(7-9-15)17(22)10-5-13-11-16(21(24)25)19(23)18(12-13)26-4/h5-12,23H,1-4H3/p-1/b10-5+