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

Systemtic Name: 4-[(4E)-3-methyl-4-[(3-nitrophenyl)methylidene]-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4E)-3-methyl-4-[(3-nitrophenyl)methylene]-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 4-[(4E)-3-methyl-4-[(3-nitrophenyl)methylidene]-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4E)-3-methyl-4-[(3-nitrophenyl)methylidene]-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 4-[(4E)-5-keto-3-methyl-4-(3-nitrobenzylidene)-2-pyrazolin-1-yl]benzoic acid Formula: C18H13N3O5 MolecularWeight: 351.31292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C18H13N3O5/c1-11-16(10-12-3-2-4-15(9-12)21(25)26)17(22)20(19-11)14-7-5-13(6-8-14)18(23)24/h2-10H,1H3,(H,23,24)/b16-10+