4-[4-[(5-ethoxycarbonyl-2,4-dimethyl-pyrrol-3-ylidene)methyl]-5-methyl-3-oxidanylidene-1H-pyrazol-2-yl]benzoic acid

Systemtic Name: 4-[4-[(5-ethoxycarbonyl-2,4-dimethyl-pyrrol-3-ylidene)methyl]-5-methyl-3-oxidanylidene-1H-pyrazol-2-yl]benzoic acid Openeye Name: 4-[4-[(5-ethoxycarbonyl-2,4-dimethyl-pyrrol-3-ylidene)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid CAS Name: 4-[4-[(5-ethoxycarbonyl-2,4-dimethyl-3-pyrrolylidene)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid IUPAC Name: 4-[4-[(5-ethoxycarbonyl-2,4-dimethylpyrrol-3-ylidene)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid Traditional Name: 4-[4-[(5-carbethoxy-2,4-dimethyl-pyrrol-3-ylidene)methyl]-5-keto-3-methyl-3-pyrazolin-1-yl]benzoic acid Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CC2=C(NN(C2=O)C3=CC=C(C=C3)C(=O)O)C)C(=N1)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=CC2=C(NN(C2=O)C3=CC=C(C=C3)C(=O)O)C)C(=N1)C)C

InChI

InChI=1S/C21H21N3O5/c1-5-29-21(28)18-11(2)16(12(3)22-18)10-17-13(4)23-24(19(17)25)15-8-6-14(7-9-15)20(26)27/h6-10,23H,5H2,1-4H3,(H,26,27)