4-[(4E)-4-[(E)-3-(4-dimethylaminophenyl)prop-2-enylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[(4E)-4-[(E)-3-(4-dimethylaminophenyl)prop-2-enylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4E)-4-[(E)-3-(4-dimethylaminophenyl)prop-2-enylidene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 4-[(4E)-4-[(E)-3-(4-dimethylaminophenyl)prop-2-enylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4E)-4-[(E)-3-(4-dimethylaminophenyl)prop-2-enylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 4-[(4E)-4-[(E)-3-(4-dimethylaminophenyl)prop-2-enylidene]-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC=CC2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O3/c1-15-20(6-4-5-16-7-11-18(12-8-16)24(2)3)21(26)25(23-15)19-13-9-17(10-14-19)22(27)28/h4-14H,1-3H3,(H,27,28)/b5-4+,20-6+