4-[(E)-[1-(3,4-dimethylphenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[(E)-[1-(3,4-dimethylphenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(E)-[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(E)-[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-4-pyrazolylidene]methyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(E)-[1-(3,4-dimethylphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(E)-[1-(3,4-dimethylphenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]methyl]-2-methoxy-6-nitro-phenolate Formula: C20H18N3O5- MolecularWeight: 380.37402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)OC)[O-])[N+](=O)[O-])C(=N2)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)/C(=C/C3=CC(=C(C(=C3)OC)[O-])[N+](=O)[O-])/C(=N2)C)C

InChI

InChI=1S/C20H19N3O5/c1-11-5-6-15(7-12(11)2)22-20(25)16(13(3)21-22)8-14-9-17(23(26)27)19(24)18(10-14)28-4/h5-10,24H,1-4H3/p-1/b16-8+