3-[2,5-dimethyl-3-(pyridin-3-ylcarbonyldiazenyl)pyrrol-1-yl]benzoate

Systemtic Name: 3-[2,5-dimethyl-3-(pyridin-3-ylcarbonyldiazenyl)pyrrol-1-yl]benzoate Openeye Name: 3-[2,5-dimethyl-3-(pyridine-3-carbonylazo)pyrrol-1-yl]benzoate CAS Name: 3-[2,5-dimethyl-3-[oxo(3-pyridinyl)methyl]azo-1-pyrrolyl]benzoate IUPAC Name: 3-[2,5-dimethyl-3-(pyridine-3-carbonyldiazenyl)pyrrol-1-yl]benzoate Traditional Name: 3-(2,5-dimethyl-3-nicotinoylazo-pyrrol-1-yl)benzoate Formula: C19H15N4O3- MolecularWeight: 347.3474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)[O-])C)N=NC(=O)C3=CN=CC=C3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)[O-])C)N=NC(=O)C3=CN=CC=C3

InChI

InChI=1S/C19H16N4O3/c1-12-9-17(21-22-18(24)15-6-4-8-20-11-15)13(2)23(12)16-7-3-5-14(10-16)19(25)26/h3-11H,1-2H3,(H,25,26)/p-1