4-[5-[[1-(2-carboxyethyl)-2-methyl-indol-3-yl]diazenyl]-4-cyano-pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[5-[[1-(2-carboxyethyl)-2-methyl-indol-3-yl]diazenyl]-4-cyano-pyrazol-1-yl]benzoic acid Openeye Name: 4-[5-[1-(2-carboxyethyl)-2-methyl-indol-3-yl]azo-4-cyano-pyrazol-1-yl]benzoic acid CAS Name: 4-[5-[[1-(2-carboxyethyl)-2-methyl-3-indolyl]azo]-4-cyano-1-pyrazolyl]benzoic acid IUPAC Name: 4-[5-[[1-(2-carboxyethyl)-2-methylindol-3-yl]diazenyl]-4-cyanopyrazol-1-yl]benzoic acid Traditional Name: 4-[5-[1-(2-carboxyethyl)-2-methyl-indol-3-yl]azo-4-cyano-pyrazol-1-yl]benzoic acid Formula: C23H18N6O4 MolecularWeight: 442.42682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1CCC(=O)O)N=NC3=C(C=NN3C4=CC=C(C=C4)C(=O)O)C#N

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1CCC(=O)O)N=NC3=C(C=NN3C4=CC=C(C=C4)C(=O)O)C#N

InChI

InChI=1S/C23H18N6O4/c1-14-21(18-4-2-3-5-19(18)28(14)11-10-20(30)31)26-27-22-16(12-24)13-25-29(22)17-8-6-15(7-9-17)23(32)33/h2-9,13H,10-11H2,1H3,(H,30,31)(H,32,33)