2-chloranyl-5-[5-methyl-3-oxidanylidene-4-(pyrrol-2-ylidenemethyl)-1H-pyrazol-2-yl]benzoate

Systemtic Name: 2-chloranyl-5-[5-methyl-3-oxidanylidene-4-(pyrrol-2-ylidenemethyl)-1H-pyrazol-2-yl]benzoate Openeye Name: 2-chloro-5-[5-methyl-3-oxo-4-(pyrrol-2-ylidenemethyl)-1H-pyrazol-2-yl]benzoate CAS Name: 2-chloro-5-[5-methyl-3-oxo-4-(2-pyrrolylidenemethyl)-1H-pyrazol-2-yl]benzoate IUPAC Name: 2-chloro-5-[5-methyl-3-oxo-4-(pyrrol-2-ylidenemethyl)-1H-pyrazol-2-yl]benzoate Traditional Name: 2-chloro-5-[5-keto-3-methyl-4-(pyrrol-2-ylidenemethyl)-3-pyrazolin-1-yl]benzoate Formula: C16H11ClN3O3- MolecularWeight: 328.72984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC(=C(C=C2)Cl)C(=O)[O-])C=C3C=CC=N3

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC(=C(C=C2)Cl)C(=O)[O-])C=C3C=CC=N3

InChI

InChI=1S/C16H12ClN3O3/c1-9-12(7-10-3-2-6-18-10)15(21)20(19-9)11-4-5-14(17)13(8-11)16(22)23/h2-8,19H,1H3,(H,22,23)/p-1