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

Systemtic Name: 2-[[(Z)-[1-(4-fluorophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]carbamoylamino]-4-nitro-phenolate Openeye Name: 2-[[(Z)-[1-(4-fluorophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methyl]carbamoylamino]-4-nitro-phenolate CAS Name: 2-[[[[(Z)-[1-(4-fluorophenyl)-3-methyl-5-oxo-4-pyrazolylidene]methyl]amino]-oxomethyl]amino]-4-nitrophenolate IUPAC Name: 2-[[(Z)-[1-(4-fluorophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]carbamoylamino]-4-nitrophenolate Traditional Name: 2-[[(Z)-[1-(4-fluorophenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]methyl]carbamoylamino]-4-nitro-phenolate Formula: C18H13FN5O5- MolecularWeight: 398.324723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])[O-])C3=CC=C(C=C3)F

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\NC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])[O-])C3=CC=C(C=C3)F

InChI

InChI=1S/C18H14FN5O5/c1-10-14(17(26)23(22-10)12-4-2-11(19)3-5-12)9-20-18(27)21-15-8-13(24(28)29)6-7-16(15)25/h2-9,25H,1H3,(H2,20,21,27)/p-1/b14-9-