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

Systemtic Name: 4-[(4E)-4-[[5-(dimethylamino)furan-2-yl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4E)-4-[[5-(dimethylamino)-2-furyl]methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 4-[(4E)-4-[[5-(dimethylamino)-2-furanyl]methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4E)-4-[[5-(dimethylamino)furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 4-[(4E)-4-[[5-(dimethylamino)-2-furyl]methylene]-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C18H17N3O4 MolecularWeight: 339.34528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=C(O2)N(C)C)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC=C(O2)N(C)C)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C18H17N3O4/c1-11-15(10-14-8-9-16(25-14)20(2)3)17(22)21(19-11)13-6-4-12(5-7-13)18(23)24/h4-10H,1-3H3,(H,23,24)/b15-10+