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

Systemtic Name: 4-[(Z)-[3-methyl-1-(4-methylphenyl)-5-oxidanylidene-pyrazol-4-ylidene]methyl]-2-nitro-phenolate Openeye Name: 4-[(Z)-[3-methyl-5-oxo-1-(p-tolyl)pyrazol-4-ylidene]methyl]-2-nitro-phenolate CAS Name: 4-[(Z)-[3-methyl-1-(4-methylphenyl)-5-oxo-4-pyrazolylidene]methyl]-2-nitrophenolate IUPAC Name: 4-[(Z)-[3-methyl-1-(4-methylphenyl)-5-oxopyrazol-4-ylidene]methyl]-2-nitrophenolate Traditional Name: 4-[(Z)-[5-keto-3-methyl-1-(p-tolyl)-2-pyrazolin-4-ylidene]methyl]-2-nitro-phenolate Formula: C18H14N3O4- MolecularWeight: 336.32146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O4/c1-11-3-6-14(7-4-11)20-18(23)15(12(2)19-20)9-13-5-8-17(22)16(10-13)21(24)25/h3-10,22H,1-2H3/p-1/b15-9-