4-[(4E)-3-methyl-4-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]-5-oxidanylidene-pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[(4E)-3-methyl-4-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4E)-3-methyl-4-[[1-(4-nitrophenyl)pyrrol-2-yl]methylene]-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 4-[(4E)-3-methyl-4-[[1-(4-nitrophenyl)-2-pyrrolyl]methylidene]-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4E)-3-methyl-4-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 4-[(4E)-5-keto-3-methyl-4-[[1-(4-nitrophenyl)pyrrol-2-yl]methylene]-2-pyrazolin-1-yl]benzoic acid Formula: C22H16N4O5 MolecularWeight: 416.38624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=CN2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC=CN2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C22H16N4O5/c1-14-20(21(27)25(23-14)17-6-4-15(5-7-17)22(28)29)13-19-3-2-12-24(19)16-8-10-18(11-9-16)26(30)31/h2-13H,1H3,(H,28,29)/b20-13+