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

Systemtic Name: 2-methoxy-4-[(E)-[3-methyl-1-(4-methylphenyl)-5-oxidanylidene-pyrazol-4-ylidene]methyl]-6-nitro-phenolate Openeye Name: 2-methoxy-4-[(E)-[3-methyl-5-oxo-1-(p-tolyl)pyrazol-4-ylidene]methyl]-6-nitro-phenolate CAS Name: 2-methoxy-4-[(E)-[3-methyl-1-(4-methylphenyl)-5-oxo-4-pyrazolylidene]methyl]-6-nitrophenolate IUPAC Name: 2-methoxy-4-[(E)-[3-methyl-1-(4-methylphenyl)-5-oxopyrazol-4-ylidene]methyl]-6-nitrophenolate Traditional Name: 4-[(E)-[5-keto-3-methyl-1-(p-tolyl)-2-pyrazolin-4-ylidene]methyl]-2-methoxy-6-nitro-phenolate Formula: C19H16N3O5- MolecularWeight: 366.34744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O5/c1-11-4-6-14(7-5-11)21-19(24)15(12(2)20-21)8-13-9-16(22(25)26)18(23)17(10-13)27-3/h4-10,23H,1-3H3/p-1/b15-8+