sodium 2-[5-methyl-2-(4-nitrophenyl)-3-oxidanylidene-1H-pyrazol-4-yl]quinolin-4-olate

Systemtic Name: sodium 2-[5-methyl-2-(4-nitrophenyl)-3-oxidanylidene-1H-pyrazol-4-yl]quinolin-4-olate Openeye Name: sodium 2-[5-methyl-2-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]quinolin-4-olate CAS Name: sodium 2-[5-methyl-2-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]-4-quinolinolate IUPAC Name: sodium 2-[5-methyl-2-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]quinolin-4-olate Traditional Name: sodium 2-[5-keto-3-methyl-1-(4-nitrophenyl)-3-pyrazolin-4-yl]quinolin-4-olate Formula: C19H13N4NaO4 MolecularWeight: 384.32069

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4C(=C3)[O-].[Na+]

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4C(=C3)[O-].[Na+]

InChI

InChI=1S/C19H14N4O4.Na/c1-11-18(16-10-17(24)14-4-2-3-5-15(14)20-16)19(25)22(21-11)12-6-8-13(9-7-12)23(26)27;/h2-10,21H,1H3,(H,20,24);/q;+1/p-1