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

Systemtic Name: 2-[5-[(Z)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]furan-2-yl]-4-nitro-phenolate Openeye Name: 2-[5-[(Z)-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]-2-furyl]-4-nitro-phenolate CAS Name: 2-[5-[(Z)-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]-2-furanyl]-4-nitrophenolate IUPAC Name: 2-[5-[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]furan-2-yl]-4-nitrophenolate Traditional Name: 2-[5-[(Z)-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]-2-furyl]-4-nitro-phenolate Formula: C21H14N3O5- MolecularWeight: 388.35296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=C(O2)C3=C(C=CC(=C3)[N+](=O)[O-])[O-])C4=CC=CC=C4

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CC=C(O2)C3=C(C=CC(=C3)[N+](=O)[O-])[O-])C4=CC=CC=C4

InChI

InChI=1S/C21H15N3O5/c1-13-17(21(26)23(22-13)14-5-3-2-4-6-14)12-16-8-10-20(29-16)18-11-15(24(27)28)7-9-19(18)25/h2-12,25H,1H3/p-1/b17-12-