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

Systemtic Name: 4-[5-[[1-(2-carboxyethyl)-2-methyl-indol-3-yl]diazenyl]-4-isocyano-pyrazol-1-yl]benzoic acid Openeye Name: 4-[5-[1-(2-carboxyethyl)-2-methyl-indol-3-yl]azo-4-isocyano-pyrazol-1-yl]benzoic acid CAS Name: 4-[5-[[1-(2-carboxyethyl)-2-methyl-3-indolyl]azo]-4-isocyano-1-pyrazolyl]benzoic acid IUPAC Name: 4-[5-[[1-(2-carboxyethyl)-2-methylindol-3-yl]diazenyl]-4-isocyanopyrazol-1-yl]benzoic acid Traditional Name: 4-[5-[1-(2-carboxyethyl)-2-methyl-indol-3-yl]azo-4-isocyano-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)[N+]#[C-]

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1CCC(=O)O)N=NC3=C(C=NN3C4=CC=C(C=C4)C(=O)O)[N+]#[C-]

InChI

InChI=1S/C23H18N6O4/c1-14-21(17-5-3-4-6-19(17)28(14)12-11-20(30)31)26-27-22-18(24-2)13-25-29(22)16-9-7-15(8-10-16)23(32)33/h3-10,13H,11-12H2,1H3,(H,30,31)(H,32,33)