[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 6-pyrazol-1-ylpyridine-3-carboxylate

Systemtic Name: [2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 6-pyrazol-1-ylpyridine-3-carboxylate Openeye Name: [2-(3-chloro-2-methyl-anilino)-2-oxo-ethyl] 6-pyrazol-1-ylpyridine-3-carboxylate CAS Name: 6-(1-pyrazolyl)-3-pyridinecarboxylic acid [2-(3-chloro-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-2-methylanilino)-2-oxoethyl] 6-pyrazol-1-ylpyridine-3-carboxylate Traditional Name: 6-pyrazol-1-ylnicotinic acid [2-(3-chloro-2-methyl-anilino)-2-keto-ethyl] ester Formula: C18H15ClN4O3 MolecularWeight: 370.7897

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)COC(=O)C2=CN=C(C=C2)N3C=CC=N3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)COC(=O)C2=CN=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C18H15ClN4O3/c1-12-14(19)4-2-5-15(12)22-17(24)11-26-18(25)13-6-7-16(20-10-13)23-9-3-8-21-23/h2-10H,11H2,1H3,(H,22,24)