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

Systemtic Name: 2-[[(Z)-[3-methyl-1-(4-methylphenyl)-5-oxidanylidene-pyrazol-4-ylidene]methyl]amino]-4-nitro-phenolate Openeye Name: 2-[[(Z)-[3-methyl-5-oxo-1-(p-tolyl)pyrazol-4-ylidene]methyl]amino]-4-nitro-phenolate CAS Name: 2-[[(Z)-[3-methyl-1-(4-methylphenyl)-5-oxo-4-pyrazolylidene]methyl]amino]-4-nitrophenolate IUPAC Name: 2-[[(Z)-[3-methyl-1-(4-methylphenyl)-5-oxopyrazol-4-ylidene]methyl]amino]-4-nitrophenolate Traditional Name: 2-[[(Z)-[5-keto-3-methyl-1-(p-tolyl)-2-pyrazolin-4-ylidene]methyl]amino]-4-nitro-phenolate Formula: C18H15N4O4- MolecularWeight: 351.3361

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=CNC3=C(C=CC(=C3)[N+](=O)[O-])[O-])C(=N2)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)/C(=C\NC3=C(C=CC(=C3)[N+](=O)[O-])[O-])/C(=N2)C

InChI

InChI=1S/C18H16N4O4/c1-11-3-5-13(6-4-11)21-18(24)15(12(2)20-21)10-19-16-9-14(22(25)26)7-8-17(16)23/h3-10,19,23H,1-2H3/p-1/b15-10-