2-[(E,3E)-3-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)-3-(4-methylphenyl)prop-1-enyl]-4-nitro-phenolate

Systemtic Name: 2-[(E,3E)-3-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)-3-(4-methylphenyl)prop-1-enyl]-4-nitro-phenolate Openeye Name: 2-[(E,3E)-3-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)-3-(p-tolyl)prop-1-enyl]-4-nitro-phenolate CAS Name: 2-[(E,3E)-3-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)-3-(4-methylphenyl)prop-1-enyl]-4-nitrophenolate IUPAC Name: 2-[(E,3E)-3-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)-3-(4-methylphenyl)prop-1-enyl]-4-nitrophenolate Traditional Name: 2-[(E,3E)-3-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)-3-(p-tolyl)prop-1-enyl]-4-nitro-phenolate Formula: C26H20N3O4- MolecularWeight: 438.4547

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=C2C(=NN(C2=O)C3=CC=CC=C3)C)C=CC4=C(C=CC(=C4)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=CC=C(C=C1)/C(=C/2\C(=NN(C2=O)C3=CC=CC=C3)C)/C=C/C4=C(C=CC(=C4)[N+](=O)[O-])[O-]

InChI

InChI=1S/C26H21N3O4/c1-17-8-10-19(11-9-17)23(14-12-20-16-22(29(32)33)13-15-24(20)30)25-18(2)27-28(26(25)31)21-6-4-3-5-7-21/h3-16,30H,1-2H3/p-1/b14-12+,25-23+